ethyl 4-{[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
ethyl 4-{[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | M072-0164 |
| Compound Name: | ethyl 4-{[2-(methanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C18 H17 N3 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1ccc2c(c1)sc(n2)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8998 |
| logD: | 3.8998 |
| logSw: | -4.0179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.539 |
| InChI Key: | QQHWBQDPFQVBLU-UHFFFAOYSA-N |