N-(3-chlorophenyl)-2-[(6-ethyl-6,11-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-(3-chlorophenyl)-2-[(6-ethyl-6,11-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(6-ethyl-6,11-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: | D461-0458 |
| Compound Name: | N-(3-chlorophenyl)-2-[(6-ethyl-6,11-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: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0695 |
| logD: | 5.0672 |
| logSw: | -5.0305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.397 |
| InChI Key: | VEBGUBMARTXOKF-VWLOTQADSA-N |