2-{[6,6-dimethyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[6,6-dimethyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide
2-{[6,6-dimethyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | D461-0530 |
| Compound Name: | 2-{[6,6-dimethyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CC(C)N1C2=NC3=C(C(N2C(=N1)SCC(Nc1ccccc1)=O)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.0341 |
| logD: | 5.0318 |
| logSw: | -4.6592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.631 |
| InChI Key: | YDDIHWRGUFYKLL-UHFFFAOYSA-N |