3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0168 |
| Compound Name: | 3-[2-(1H-indol-3-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C20 H14 N4 O3 S2 |
| Smiles: | C(CN1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1661 |
| logD: | 4.1469 |
| logSw: | -4.2734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.043 |
| InChI Key: | HHFCCTKGMOLPCU-UHFFFAOYSA-N |