methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0383 |
| Compound Name: | methyl 2-[2-(2,4-dichlorophenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 442.36 |
| Molecular Formula: | C20 H21 Cl2 N O4 S |
| Smiles: | CC(C(Nc1c(C(=O)OC)c2CCCCCc2s1)=O)Oc1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9287 |
| logD: | 3.4959 |
| logSw: | -6.2424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.425 |
| InChI Key: | MPAPOQFDHBUXDQ-NSHDSACASA-N |