N-[rel-(3R,4S)-1-(cyclohexylacetyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(cyclohexylacetyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(cyclohexylacetyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0417 |
| Compound Name: | N-[rel-(3R,4S)-1-(cyclohexylacetyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(CC1CCCCC1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.9553 |
| logD: | 2.9509 |
| logSw: | -3.4243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.805 |
| InChI Key: | GVVHTDFHHJGOBE-RTBURBONSA-N |