N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0144 |
| Compound Name: | N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C20 H26 Cl N5 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8685 |
| logD: | 2.8678 |
| logSw: | -3.5906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.755 |
| InChI Key: | VFVXNRHBSKALAE-SJORKVTESA-N |