N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}cyclopentanecarboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}cyclopentanecarboxamide
N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}cyclopentanecarboxamide
Compound characteristics
| Compound ID: | SB33-1087 |
| Compound Name: | N-{rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}cyclopentanecarboxamide |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C23 H33 N5 O4 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cc(c(cc3OC)OC)OC)C[C@H]2NC(C2CCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7211 |
| logD: | -1.2275 |
| logSw: | -2.5587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.387 |
| InChI Key: | YDLWTKXUBDPVDZ-ROUUACIJSA-N |