N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0259 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | COc1ccc(CNC(CSc2nnc3c4ccccc4nc(c4ccccc4)n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4188 |
| logD: | 4.4135 |
| logSw: | -4.283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.326 |
| InChI Key: | TXXRNVVYVWIWQV-UHFFFAOYSA-N |