2-[(11-butyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(11-butyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide
2-[(11-butyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | D461-0550 |
| Compound Name: | 2-[(11-butyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | CCCCN1C2=NC3=C(C(N2C(=N1)SCC(Nc1ccccc1)=O)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.3017 |
| logD: | 5.301 |
| logSw: | -5.1447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.696 |
| InChI Key: | FVDPCFSMNJYCIH-UHFFFAOYSA-N |