methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4-chlorobenzoate
methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4-chlorobenzoate
Compound characteristics
| Compound ID: | L320-0432 |
| Compound Name: | methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4-chlorobenzoate |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C23 H18 Cl N3 O3 S |
| Smiles: | Cc1cc(ccc1NC(Nc1cc(ccc1C(=O)OC)[Cl])=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.8951 |
| logD: | 5.5449 |
| logSw: | -5.9515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.769 |
| InChI Key: | ANFJXIBUKBZFRP-UHFFFAOYSA-N |