2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one
2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0556 |
| Compound Name: | 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C26 H28 N2 O3 S |
| Smiles: | CC(c1ccc(c(CSC2=Nc3ccccc3C(N2CCC2CCCCC=2)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8031 |
| logD: | 4.8031 |
| logSw: | -4.4852 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.399 |
| InChI Key: | MVXUHRLAYTWDDV-UHFFFAOYSA-N |