4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4491 |
| Compound Name: | 4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 584.74 |
| Molecular Formula: | C33 H36 N4 O4 S |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1606 |
| logD: | 5.1606 |
| logSw: | -5.0223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.911 |
| InChI Key: | GVCALJRGKXVZPG-UHFFFAOYSA-N |