2-methyl-4-{2-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-4-ylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-methyl-4-{2-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-4-ylidene}-1,3-oxazol-5(4H)-one
2-methyl-4-{2-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-4-ylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 7612-0008 |
| Compound Name: | 2-methyl-4-{2-[4-(methylsulfanyl)phenyl]-4H-1-benzopyran-4-ylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C20 H15 N O3 S |
| Smiles: | CC1=NC(=C2\C=C(c3ccc(cc3)SC)Oc3ccccc23)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.7927 |
| logD: | 4.7927 |
| logSw: | -4.7037 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.587 |
| InChI Key: | OPHFMJBLQMZNKT-UHFFFAOYSA-N |