4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-3383 |
| Compound Name: | 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide |
| Molecular Weight: | 569.51 |
| Molecular Formula: | C28 H26 Cl2 N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1CCCC(NCc1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1425 |
| logD: | 5.1424 |
| logSw: | -5.3327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.37 |
| InChI Key: | XYZMHQLEOPIMSI-UHFFFAOYSA-N |