7-(3-chloro-4-fluorophenyl)-3-(difluoromethyl)-1-methyl-7,7a-dihydropyrido[3'',2'':4',5']thieno[2',3':5,6]pyrimido[2,1-a]isoindole-6,12-dione
Chemical Structure Depiction of
7-(3-chloro-4-fluorophenyl)-3-(difluoromethyl)-1-methyl-7,7a-dihydropyrido[3'',2'':4',5']thieno[2',3':5,6]pyrimido[2,1-a]isoindole-6,12-dione
7-(3-chloro-4-fluorophenyl)-3-(difluoromethyl)-1-methyl-7,7a-dihydropyrido[3'',2'':4',5']thieno[2',3':5,6]pyrimido[2,1-a]isoindole-6,12-dione
Compound characteristics
| Compound ID: | Y501-8024 |
| Compound Name: | 7-(3-chloro-4-fluorophenyl)-3-(difluoromethyl)-1-methyl-7,7a-dihydropyrido[3'',2'':4',5']thieno[2',3':5,6]pyrimido[2,1-a]isoindole-6,12-dione |
| Molecular Weight: | 499.9 |
| Molecular Formula: | C24 H13 Cl F3 N3 O2 S |
| Smiles: | Cc1cc(C(F)F)nc2c1c1c(C(N(C3c4ccccc4C(N13)=O)c1ccc(c(c1)[Cl])F)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3666 |
| logD: | 5.3666 |
| logSw: | -5.9092 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.989 |
| InChI Key: | DAMDIUOEEFVLRW-JOCHJYFZSA-N |