methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0313 |
| Compound Name: | methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 491.36 |
| Molecular Formula: | C21 H19 Br N2 O5 S |
| Smiles: | COCCN1C(=Nc2cc(ccc2C1=O)C(=O)OC)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.637 |
| logD: | 3.637 |
| logSw: | -3.9964 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.784 |
| InChI Key: | WNSPOTDAZUOLIK-UHFFFAOYSA-N |