N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-fluorobenzamide
N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | K284-4905 |
| Compound Name: | N-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-4-fluorobenzamide |
| Molecular Weight: | 496.95 |
| Molecular Formula: | C24 H18 Cl F N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1NC(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0379 |
| logD: | 4.0012 |
| logSw: | -4.4088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.322 |
| InChI Key: | RYJHGRXUQWMNEP-UHFFFAOYSA-N |