N-[(2-chlorophenyl)methyl]-4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3401 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 663.24 |
| Molecular Formula: | C35 H39 Cl N4 O5 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCc2ccccc2[Cl])=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6757 |
| logD: | 4.6757 |
| logSw: | -4.8697 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.95 |
| InChI Key: | XFFOVEZAHCTDGS-UHFFFAOYSA-N |