1-[(4-nitrophenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(4-nitrophenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[(4-nitrophenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C258-0619 |
| Compound Name: | 1-[(4-nitrophenyl)methyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(Cc3ccc(cc3)[N+]([O-])=O)c1s2)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8608 |
| logD: | 4.8608 |
| logSw: | -4.9315 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.409 |
| InChI Key: | QGIWLWOBRDUMIO-UHFFFAOYSA-N |