methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3112-5288 |
| Compound Name: | methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 419.95 |
| Molecular Formula: | C20 H18 Cl N O3 S2 |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1c(c2ccccc2s1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9039 |
| logD: | 2.033 |
| logSw: | -6.1542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.296 |
| InChI Key: | OWKGRNBTBBSCSL-UHFFFAOYSA-N |