4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4745 |
| Compound Name: | 4-{[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 569.12 |
| Molecular Formula: | C29 H33 Cl N4 O4 S |
| Smiles: | C1CC(CNC(C2CCC(CC2)CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccccc2[Cl])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8472 |
| logD: | 3.8471 |
| logSw: | -4.2291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.482 |
| InChI Key: | ZMPWKTDSTCULGU-XVAXZDLZSA-N |