N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-1050 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | CC(C)Oc1ccc(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.0651 |
| logD: | 3.0622 |
| logSw: | -3.3238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.277 |
| InChI Key: | VBQRMHIPLRSQJT-RBBKRZOGSA-N |