methyl 2-[(3,4-dichlorophenyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(3,4-dichlorophenyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(3,4-dichlorophenyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-6728 |
| Compound Name: | methyl 2-[(3,4-dichlorophenyl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.29 |
| Molecular Formula: | C17 H16 Cl2 N2 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(Nc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7919 |
| logD: | 3.6345 |
| logSw: | -6.2782 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.43 |
| InChI Key: | QIDKETOIHQJRKY-UHFFFAOYSA-N |