methyl 3-{[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
methyl 3-{[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | M072-0030 |
| Compound Name: | methyl 3-{[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C18 H17 N3 O5 S2 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NC(Nc1cccc(c1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2203 |
| logD: | 4.2203 |
| logSw: | -4.3571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.247 |
| InChI Key: | PHJGHSGDBWLJNE-UHFFFAOYSA-N |