N-[(3S,5S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
Compound ID: | SB18-1223 |
Compound Name: | N-[(3S,5S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
Molecular Weight: | 440.57 |
Molecular Formula: | C22 H28 N6 O2 S |
Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(CCc1nc2ccccc2s1)=O)=O |
Stereo: | ABSOLUTE |
logP: | 3.0137 |
logD: | 3.0131 |
logSw: | -3.3458 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.971 |
InChI Key: | LUZODBRISBISEV-WBVHZDCISA-N |