methyl 4-{[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]amino}benzoate
methyl 4-{[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]amino}benzoate
Compound characteristics
| Compound ID: | J087-0035 |
| Compound Name: | methyl 4-{[1,1-dioxo-2-(phenylcarbamoyl)-1H-1-benzothiophen-3-yl]amino}benzoate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H18 N2 O5 S |
| Smiles: | COC(c1ccc(cc1)NC1=C(C(Nc2ccccc2)=O)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5078 |
| logD: | 2.5983 |
| logSw: | -3.886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.882 |
| InChI Key: | WTKKOCZTIWEICD-UHFFFAOYSA-N |