N-[rel-(3R,4S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0263 |
| Compound Name: | N-[rel-(3R,4S)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C21 H23 N7 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(c2cc(C3CC3)[nH]n2)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 1.5164 |
| logD: | 1.5159 |
| logSw: | -2.4084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.867 |
| InChI Key: | SOCTUKHDZJTSSG-YJBOKZPZSA-N |