N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide
Compound characteristics
| Compound ID: | Y031-1273 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylmethanesulfonyl)propanamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | COc1ccc(Cc2nnc(NC(CCS(Cc3ccccc3)(=O)=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4506 |
| logD: | 2.3688 |
| logSw: | -2.7553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.729 |
| InChI Key: | NRKZTSWKLUAPSM-UHFFFAOYSA-N |