N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]butanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 5025-0041 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]butanamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C20 H20 N6 O S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)Sc1nnnn1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4864 |
| logD: | 3.0695 |
| logSw: | -4.4267 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.023 |
| InChI Key: | COWHODSSMYYRCO-INIZCTEOSA-N |