-
Name
SGX-523
- EINECS
- CAS No. 1022150-57-7
- Density 1.507 g/cm3
- Solubility
- Melting Point
- Formula C18H13N7S
- Boiling Point
- Molecular Weight 359.41
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-[[6-(1-Methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;
- PSA 99.09000
- LogP 3.22420
SGX-523 Specification
The SGX-523 has the CAS registry number 1022150-57-7. This chemical's molecular formula is C18H13N7S and molecular weight is 359.41. What's more, its systematic name is 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline.
Physical properties of SGX-523 are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.441; (4)ACD/LogD (pH 7.4): 3.452; (5)ACD/BCF (pH 5.5): 241.088; (6)ACD/BCF (pH 7.4): 247.555; (7)ACD/KOC (pH 5.5): 1751.69; (8)ACD/KOC (pH 7.4): 1798.682; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 99.09 Å2; (13)Index of Refraction: 1.817; (14)Molar Refractivity: 103.564 cm3; (15)Molar Volume: 238.492 cm3; (16)Polarizability: 41.056×10-24cm3; (17)Surface Tension: 67.816 dyne/cm; (18)Density: 1.507 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5
(2)InChI: InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
(3)InChIKey: BCZUAADEACICHN-UHFFFAOYSA-N
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