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-(4-methylphenyl)methanesulfonamide
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-(4-methylphenyl)methanesulfonamide
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-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1742 |
| 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-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C22 H29 N5 O3 S2 |
| Smiles: | CCn1c(C)cc(C(CSc2nnc(CN(c3ccc(C)cc3)S(C)(=O)=O)n2C)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.5662 |
| logD: | 2.5662 |
| logSw: | -3.0044 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.781 |
| InChI Key: | YAJMVOWXUGTDDK-UHFFFAOYSA-N |