N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
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]cyclopentanecarboxamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-0112 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C23 H29 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(C2CCCC2)=O)C(C2(CC2)c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9288 |
| logD: | 1.9282 |
| logSw: | -2.5747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.664 |
| InChI Key: | MNOFJBXHBKOZDJ-RTBURBONSA-N |