N-benzyl-4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4712 |
| Compound Name: | N-benzyl-4-{[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C32 H34 N4 O4 S |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9871 |
| logD: | 4.9871 |
| logSw: | -4.6584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.07 |
| InChI Key: | BOJTUSDEADQTSK-UHFFFAOYSA-N |