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
Available: 67 mg
Amount:
mg
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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
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