methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-8062 |
| Compound Name: | methyl 2-[4-(2,4-dichlorophenoxy)butanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 456.39 |
| Molecular Formula: | C21 H23 Cl2 N O4 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(CCCOc1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4411 |
| logD: | 3.1174 |
| logSw: | -6.1528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.84 |
| InChI Key: | SYIQGKLAEFBLGJ-UHFFFAOYSA-N |