3-(3,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(3,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C258-0721 |
| Compound Name: | 3-(3,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 502.37 |
| Molecular Formula: | C23 H17 Cl2 N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(Cc3ccc(cc3)[N+]([O-])=O)c1s2)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3213 |
| logD: | 6.3213 |
| logSw: | -6.738 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.409 |
| InChI Key: | AWOHDQQFTSBNAY-UHFFFAOYSA-N |