3-[2-(4-chlorophenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[2-(4-chlorophenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0171 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C18 H12 Cl N3 O3 S2 |
| Smiles: | C(CN1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.66 |
| logD: | 4.6408 |
| logSw: | -4.9583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.173 |
| InChI Key: | UURPAJKVTGXNES-UHFFFAOYSA-N |