N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-cyclopropyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-cyclopropyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-cyclopropyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y205-5520 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-cyclopropyl-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C21 H25 N5 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSc1nnc(C3CC3)n1CC1CCCO1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2127 |
| logD: | 2.1556 |
| logSw: | -3.4596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.067 |
| InChI Key: | QVTLEJXBJYBBMG-CQSZACIVSA-N |