4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Chemical Structure Depiction of
4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | G629-0036 |
| Compound Name: | 4-{[2-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide |
| Molecular Weight: | 522.57 |
| Molecular Formula: | C27 H24 F2 N4 O3 S |
| Smiles: | CCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(cc2F)F)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8042 |
| logD: | 3.7992 |
| logSw: | -3.8795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.749 |
| InChI Key: | MTYQBHYNBUWSOB-UHFFFAOYSA-N |