N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2832 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C18 H16 N2 O4 S2 |
| Smiles: | COc1ccc(/C=C/C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.314 |
| logD: | 3.3138 |
| logSw: | -3.8592 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.17 |
| InChI Key: | NBDFLBRHNODRCG-UHFFFAOYSA-N |