methyl 3-({2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-5-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-5-yl}carbamamido)benzoate
methyl 3-({2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-5-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L356-0247 |
| Compound Name: | methyl 3-({2-[(4-methylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-5-yl}carbamamido)benzoate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | [H]c1cc2c(cc1NC(Nc1cccc(c1)C(=O)OC)=O)nc(NS(c1ccc(C)cc1)(=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.9484 |
| logD: | 5.5474 |
| logSw: | -5.5636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.126 |
| InChI Key: | BTIZQLSYJZYXLQ-UHFFFAOYSA-N |