1-[3-({[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
Chemical Structure Depiction of
1-[3-({[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
1-[3-({[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
Compound characteristics
| Compound ID: | K297-0414 |
| Compound Name: | 1-[3-({[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | CC(c1ccc(c(CSc2nc(c3ccccc3n2)NC2CCCCC2)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7839 |
| logD: | 5.7831 |
| logSw: | -5.6421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.032 |
| InChI Key: | BIEFTAVMOPETGQ-UHFFFAOYSA-N |