3-[(4-methylphenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(4-methylphenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[(4-methylphenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0031 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C18 H13 N3 O3 S2 |
| Smiles: | Cc1ccc(CN2C(c3c(c4cc(ccc4s3)[N+]([O-])=O)NC2=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3896 |
| logD: | 4.3874 |
| logSw: | -4.3187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.194 |
| InChI Key: | UZKKEPADHSRDDH-UHFFFAOYSA-N |