N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-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-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}benzamide
N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | SB18-1047 |
| Compound Name: | N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}benzamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C23 H29 N7 O2 |
| Smiles: | Cc1c(CCC(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(c2ccccc2)=O)=O)c(C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9885 |
| logD: | 0.9876 |
| logSw: | -1.797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.536 |
| InChI Key: | FCGLPDKEUHSOKF-AZUAARDMSA-N |