3-[2-(morpholin-4-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[2-(morpholin-4-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[2-(morpholin-4-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0179 |
| Compound Name: | 3-[2-(morpholin-4-yl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C16 H16 N4 O4 S2 |
| Smiles: | C(CN1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.9359 |
| logD: | 1.8674 |
| logSw: | -2.7408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.064 |
| InChI Key: | MBGOEVWAKQLSBM-UHFFFAOYSA-N |