ethyl 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]piperidine-1-carboxylate
ethyl 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K284-4579 |
| Compound Name: | ethyl 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C25 H27 Cl N4 O4 S |
| Smiles: | CCOC(N1CCC(CC1)N1C(=Nc2ccccc2C1=O)SCC(Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9743 |
| logD: | 4.9742 |
| logSw: | -4.9626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.922 |
| InChI Key: | VEDZBTVANBRYNZ-UHFFFAOYSA-N |