N-(4-chlorophenyl)-2-[(11-ethyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-[(11-ethyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
N-(4-chlorophenyl)-2-[(11-ethyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D461-0227 |
| Compound Name: | N-(4-chlorophenyl)-2-[(11-ethyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C25 H24 Cl N5 O2 S |
| Smiles: | CCN1C2=NC3=C(C(N2C(=N1)SCC(Nc1ccc(cc1)[Cl])=O)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.127 |
| logD: | 5.1238 |
| logSw: | -5.4164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.443 |
| InChI Key: | FQVRALGFNMQBQV-UHFFFAOYSA-N |