2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 3118-0055 |
| Compound Name: | 2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 539.68 |
| Molecular Formula: | C30 H25 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(c(CSc3nc4ccccc4s3)c2)OC)Nc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0682 |
| logD: | 7.0682 |
| logSw: | -5.7316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.716 |
| InChI Key: | DOZIVCHEVHTNIL-NDEPHWFRSA-N |