2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6101 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 555.45 |
| Molecular Formula: | C26 H23 Br N2 O5 S |
| Smiles: | COc1ccc(CN2C(=Nc3cc(c(cc3C2=O)OC)OC)SCC(c2ccc(cc2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3641 |
| logD: | 5.3641 |
| logSw: | -5.3416 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.823 |
| InChI Key: | TXJZOFHKIYLNEU-UHFFFAOYSA-N |