N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide
Chemical Structure Depiction of
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide
Compound characteristics
Compound ID: | Y031-3452 |
Compound Name: | N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide |
Molecular Weight: | 431.53 |
Molecular Formula: | C20 H21 N3 O4 S2 |
Smiles: | COc1ccccc1Cc1nnc(NC(CCS(Cc2ccccc2)(=O)=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 2.6324 |
logD: | 2.5506 |
logSw: | -3.1712 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.815 |
InChI Key: | QVTGSAWEUCQUCQ-UHFFFAOYSA-N |