methyl 4-methyl-3-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 4-methyl-3-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y200-2003 |
| Compound Name: | methyl 4-methyl-3-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C18 H19 N O3 S |
| Smiles: | Cc1ccc(cc1NC(c1csc2CCCCc12)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2802 |
| logD: | 4.2801 |
| logSw: | -4.3365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.745 |
| InChI Key: | GYNQEWOCRFFOEV-UHFFFAOYSA-N |