3,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one
Chemical Structure Depiction of
3,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one
3,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one
Compound characteristics
| Compound ID: | D526-0085 |
| Compound Name: | 3,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-4,7,8,9-tetrahydro[1,2]oxazolo[5,4-b]quinolin-5(6H)-one |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C20 H22 N2 O2 S |
| Smiles: | Cc1c2C(C3=C(CC(C)(C)CC3=O)Nc2on1)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1245 |
| logD: | 1.9409 |
| logSw: | -4.2821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.711 |
| InChI Key: | OBRLLBBOCJNCAN-QGZVFWFLSA-N |