N-benzyl-2-[(6,6-diethyl-11-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(6,6-diethyl-11-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
N-benzyl-2-[(6,6-diethyl-11-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D461-0460 |
| Compound Name: | N-benzyl-2-[(6,6-diethyl-11-methyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3726 |
| logD: | 4.3714 |
| logSw: | -4.3279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.719 |
| InChI Key: | ZVVZSZJIQQQJHZ-UHFFFAOYSA-N |