2-{[6-ethyl-6-methyl-7-oxo-11-(prop-2-en-1-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-ethyl-6-methyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide
2-{[6-ethyl-6-methyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | D461-0622 |
| Compound Name: | 2-{[6-ethyl-6-methyl-7-oxo-11-(prop-2-en-1-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SCC(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7122 |
| logD: | 4.7116 |
| logSw: | -4.48 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.696 |
| InChI Key: | PWRKJWRJEDURSE-MHZLTWQESA-N |