N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(morpholin-4-yl)propanoyl]pyrrolidin-3-yl}benzamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(morpholin-4-yl)propanoyl]pyrrolidin-3-yl}benzamide
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(morpholin-4-yl)propanoyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB18-1038 |
| Compound Name: | N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(morpholin-4-yl)propanoyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(CCN2CCOCC2)=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.2669 |
| logD: | 0.1291 |
| logSw: | -1.7195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.588 |
| InChI Key: | AVOJMZYNEPXCST-ZWKOTPCHSA-N |