2-{2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y501-4902 |
| Compound Name: | 2-{2-[(4,5-dicyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C19 H23 N5 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CSc1nnc(C3CC3)n1C1CC1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.9157 |
| logD: | 1.6253 |
| logSw: | -2.4392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.323 |
| InChI Key: | OIMCHOMKCWAEIL-UHFFFAOYSA-N |