N-[(5-{[2-(1-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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: | D580-1070 |
| Compound Name: | N-[(5-{[2-(1-cyclopropyl-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: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(c1cc(C)n(C2CC2)c1C)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6965 |
| logD: | 2.6965 |
| logSw: | -3.077 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.692 |
| InChI Key: | MQGRMKKSTZOMGI-UHFFFAOYSA-N |