methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}benzoate
methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | L320-0461 |
| Compound Name: | methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}benzoate |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1cc(ccc1NC(Nc1cccc(c1)C(=O)OC)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9461 |
| logD: | 5.9461 |
| logSw: | -5.6276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.466 |
| InChI Key: | YJNUROBVDMLICC-UHFFFAOYSA-N |