6-bromo-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
6-bromo-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0756 |
| Compound Name: | 6-bromo-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C19 H13 Br O3 S |
| Smiles: | CSc1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0892 |
| logD: | 5.0892 |
| logSw: | -5.1532 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.136 |
| InChI Key: | YKTXPCYNRDVBRY-UHFFFAOYSA-N |