N-[(3S,5S)-1-(5-chloro-2-methoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(5-chloro-2-methoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-(5-chloro-2-methoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1007 |
| Compound Name: | N-[(3S,5S)-1-(5-chloro-2-methoxybenzoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(c2cc(ccc2OC)[Cl])=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6498 |
| logD: | 2.6491 |
| logSw: | -3.6408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.855 |
| InChI Key: | XAPIJKCIKQSBJT-AEFFLSMTSA-N |