N-(3-chlorophenyl)-2-[(6,6,11-trimethyl-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-[(6,6,11-trimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(6,6,11-trimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D461-0452 |
| Compound Name: | N-(3-chlorophenyl)-2-[(6,6,11-trimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.99 |
| Molecular Formula: | C24 H22 Cl N5 O2 S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8786 |
| logD: | 4.8742 |
| logSw: | -4.8243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.397 |
| InChI Key: | ADRHXSIJWRSZFS-UHFFFAOYSA-N |