3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0164 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 403.86 |
| Molecular Formula: | C17 H10 Cl N3 O3 S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4501 |
| logD: | 4.4486 |
| logSw: | -4.5715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.194 |
| InChI Key: | IZIGOKQFKGICBH-UHFFFAOYSA-N |