methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0475 |
| Compound Name: | methyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 541.46 |
| Molecular Formula: | C26 H25 Br N2 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC3CCCCC=3)C(=Nc2c1)SCC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7733 |
| logD: | 5.7733 |
| logSw: | -5.4152 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.362 |
| InChI Key: | CNODLEFVFVOSQB-UHFFFAOYSA-N |