N-[(3S,5S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
Compound ID: | SB18-1205 |
Compound Name: | N-[(3S,5S)-1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
Molecular Weight: | 425.53 |
Molecular Formula: | C23 H31 N5 O3 |
Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(C1(CC1)c1ccc(cc1)OC)=O)=O |
Stereo: | ABSOLUTE |
logP: | 2.4842 |
logD: | 2.4835 |
logSw: | -2.7378 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.078 |
InChI Key: | MJRHJZNAWSJHDZ-MJGOQNOKSA-N |