N-(3-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | D461-0449 |
| Compound Name: | N-(3-methylphenyl)-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: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSC1=NN(C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 4.485 |
| logD: | 4.4807 |
| logSw: | -4.3518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.397 |
| InChI Key: | FVYBCONITNPKCC-UHFFFAOYSA-N |