3-(3-chloro-4-fluorophenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(3-chloro-4-fluorophenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C241-1121 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 431.83 |
| Molecular Formula: | C19 H11 Cl F N3 O4 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)N1C(N(C(c2c1ccs2)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4307 |
| logD: | 4.4307 |
| logSw: | -4.5803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.055 |
| InChI Key: | KTYBNGFFTGVTIM-UHFFFAOYSA-N |