N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y205-9395 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 348.45 |
| Molecular Formula: | C14 H16 N6 O S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(CSc3nnnn3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2174 |
| logD: | 1.1359 |
| logSw: | -2.5023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.231 |
| InChI Key: | ZNEWHPVUVNPNST-MRVPVSSYSA-N |