N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-1767 |
| Compound Name: | N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(c1cc(C)n(C2CC2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7661 |
| logD: | 2.7661 |
| logSw: | -3.4099 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.607 |
| InChI Key: | ZAWDZGTVQKJMTG-UHFFFAOYSA-N |