N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(1H-tetrazol-1-yl)benzamide
N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | Y043-4400 |
| Compound Name: | N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C20 H19 N7 O3 S |
| Smiles: | CSCCC1C(Nc2ccc(cc2C(N1)=O)NC(c1ccc(cc1)n1cnnn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2923 |
| logD: | 2.2788 |
| logSw: | -3.161 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.079 |
| InChI Key: | AXAHJPXJIPISEN-KRWDZBQOSA-N |