N,N-diethyl-2-{[6-ethyl-6-methyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[6-ethyl-6-methyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetamide
N,N-diethyl-2-{[6-ethyl-6-methyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D461-0527 |
| Compound Name: | N,N-diethyl-2-{[6-ethyl-6-methyl-7-oxo-11-(propan-2-yl)-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C25 H33 N5 O2 S |
| Smiles: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C(C)C)N=C1SCC(N(CC)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5602 |
| logD: | 4.559 |
| logSw: | -4.5012 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.158 |
| InChI Key: | AQNYDYWVERPLPL-VWLOTQADSA-N |