2-[(6,6-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(6,6-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(6,6-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D461-0277 |
| Compound Name: | 2-[(6,6-dimethyl-7-oxo-11-propyl-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | CCCN1C2=NC3=C(C(N2C(=N1)SCC(Nc1cccc(C)c1)=O)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.3312 |
| logD: | 5.3295 |
| logSw: | -5.3225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.696 |
| InChI Key: | VRLWGTDVGXELLT-UHFFFAOYSA-N |