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-(3-methylphenyl)acetamide
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-(3-methylphenyl)acetamide
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-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D461-0627 |
| 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-(3-methylphenyl)acetamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SCC(Nc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2639 |
| logD: | 5.2633 |
| logSw: | -5.0635 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.696 |
| InChI Key: | GKHFALDQAYIGME-NDEPHWFRSA-N |