N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1247 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C24 H25 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(C2(CC2)c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0133 |
| logD: | 2.0129 |
| logSw: | -2.6405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.105 |
| InChI Key: | DBQMQVFWRQDASD-PMACEKPBSA-N |