N-[(1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-[(1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0482 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C26 H21 N7 O2 S |
| Smiles: | COc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(NCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5008 |
| logD: | 4.4975 |
| logSw: | -4.2745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.607 |
| InChI Key: | IFSUTPSZCXCPCA-UHFFFAOYSA-N |