4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-3793 |
| Compound Name: | 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 529.06 |
| Molecular Formula: | C26 H29 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1CCCC(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9006 |
| logD: | 2.9005 |
| logSw: | -3.7008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.025 |
| InChI Key: | SWCGZJQLSKMBBZ-LJQANCHMSA-N |