N-[(5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-0685 |
| Compound Name: | N-[(5-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C21 H27 N5 O3 S2 |
| Smiles: | CCn1c(C)cc(C(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.0212 |
| logD: | 2.0212 |
| logSw: | -2.9247 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.781 |
| InChI Key: | SEJHXLKOPOCNOJ-UHFFFAOYSA-N |