N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1209 |
| Compound Name: | N-[rel-(3R,4S)-1-(2,3-dimethoxybenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C23 H25 N5 O4 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(c2cccc(c2OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5076 |
| logD: | 1.5071 |
| logSw: | -2.3494 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.201 |
| InChI Key: | GJFGVYHJZPTPMD-QZTJIDSGSA-N |