ethyl N-({4-methyl-2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({4-methyl-2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate
ethyl N-({4-methyl-2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | L366-0404 |
| Compound Name: | ethyl N-({4-methyl-2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C21 H24 N4 O5 S2 |
| Smiles: | CCOC(CCNC(Nc1cc(C)c2c(c1)sc(NS(c1ccc(C)cc1)(=O)=O)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9482 |
| logD: | 3.2873 |
| logSw: | -3.8862 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.317 |
| InChI Key: | IMZVFSAFUKULLU-UHFFFAOYSA-N |