methyl 4-{[2-(methylcarbamoyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(methylcarbamoyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]amino}benzoate
methyl 4-{[2-(methylcarbamoyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]amino}benzoate
Compound characteristics
| Compound ID: | D581-0021 |
| Compound Name: | methyl 4-{[2-(methylcarbamoyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]amino}benzoate |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H16 N2 O5 S |
| Smiles: | CNC(C1=C(c2ccccc2S1(=O)=O)Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7947 |
| logD: | -0.0948 |
| logSw: | -2.4445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.626 |
| InChI Key: | HDZVXWDAEPGNQX-UHFFFAOYSA-N |