2-[(4-bromophenyl)sulfanyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl thiophene-2-carboxylate
Chemical Structure Depiction of
2-[(4-bromophenyl)sulfanyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl thiophene-2-carboxylate
2-[(4-bromophenyl)sulfanyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 3339-1362 |
| Compound Name: | 2-[(4-bromophenyl)sulfanyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-yl thiophene-2-carboxylate |
| Molecular Weight: | 437.37 |
| Molecular Formula: | C19 H17 Br O3 S2 |
| Smiles: | CC1(C)CC(=C(C(C1)=O)Sc1ccc(cc1)[Br])OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7162 |
| logD: | 5.7162 |
| logSw: | -5.5865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.178 |
| InChI Key: | LUDZTKJEVZBZKP-UHFFFAOYSA-N |