N-{[4-(4-ethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
N-{[4-(4-ethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0062371 |
| Compound Name: | N-{[4-(4-ethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 641.79 |
| Molecular Formula: | C28 H31 N7 O5 S3 |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2ccc(cc2)S(N2CCCCC2)(=O)=O)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.226 |
| logD: | 3.2256 |
| logSw: | -3.6056 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.836 |
| InChI Key: | DVACINLLAOQMOW-UHFFFAOYSA-N |