2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 3118-0147 |
| Compound Name: | 2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C29 H22 F N3 O2 S2 |
| Smiles: | COc1ccc(cc1CSc1nc2ccccc2s1)C1Nc2ccccc2C(N1c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1149 |
| logD: | 7.1149 |
| logSw: | -5.7147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.172 |
| InChI Key: | YQBXYWLPKCSSAP-MHZLTWQESA-N |