3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0035 |
| Compound Name: | 3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C24 H21 N5 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3c(ccs3)NC2=O)=O)cc1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3205 |
| logD: | 3.3204 |
| logSw: | -3.5423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.789 |
| InChI Key: | DNGRWTWEQOLLKS-UHFFFAOYSA-N |