N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4599 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 619.18 |
| Molecular Formula: | C33 H35 Cl N4 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0716 |
| logD: | 6.0716 |
| logSw: | -5.9122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.649 |
| InChI Key: | XEWMYXNXUQMKQU-UHFFFAOYSA-N |