N-(3-chlorophenyl)-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C445-0068 |
| Compound Name: | N-(3-chlorophenyl)-2-[(8,9-dimethoxy-2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 443.91 |
| Molecular Formula: | C20 H18 Cl N5 O3 S |
| Smiles: | Cc1nc2c3cc(c(cc3nc(n2n1)SCC(Nc1cccc(c1)[Cl])=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6543 |
| logD: | 3.6357 |
| logSw: | -3.9769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.091 |
| InChI Key: | KUHNMGVVGOROSV-UHFFFAOYSA-N |