methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0175 |
| Compound Name: | methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H25 F N2 O3 S |
| Smiles: | COC(c1ccc2C(N(CCC3CCCCC=3)C(=Nc2c1)SCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5364 |
| logD: | 5.5364 |
| logSw: | -5.3555 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.115 |
| InChI Key: | LABIAAHLYLUYOO-UHFFFAOYSA-N |