4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-3555 |
| Compound Name: | 4-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 525.03 |
| Molecular Formula: | C26 H25 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1CCCC(NCc1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1958 |
| logD: | 4.1957 |
| logSw: | -4.454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.119 |
| InChI Key: | BKFGJPYYXHPBLZ-UHFFFAOYSA-N |