N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-3493 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide |
| Molecular Weight: | 609.14 |
| Molecular Formula: | C31 H33 Cl N4 O5 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2CCCC(NCc2cccc(c2)[Cl])=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7254 |
| logD: | 2.7254 |
| logSw: | -3.6441 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.795 |
| InChI Key: | UWRZGHCZEPOKCG-UHFFFAOYSA-N |