6-(4-fluorophenyl)-1-methyl-5-[1-methyl-4-oxo-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]-2-sulfanylidene-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
6-(4-fluorophenyl)-1-methyl-5-[1-methyl-4-oxo-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]-2-sulfanylidene-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
6-(4-fluorophenyl)-1-methyl-5-[1-methyl-4-oxo-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]-2-sulfanylidene-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D338-0022 |
| Compound Name: | 6-(4-fluorophenyl)-1-methyl-5-[1-methyl-4-oxo-6-(1H-pyrrol-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]-2-sulfanylidene-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C22 H17 F N6 O2 S2 |
| Smiles: | CN1C(=C(C(NC1=S)=O)c1c2C(NC(N(C)c2[nH]c1c1ccc(cc1)F)=S)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9681 |
| logD: | 2.9625 |
| logSw: | -3.6411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.337 |
| InChI Key: | RMAGUTADEFZATR-UHFFFAOYSA-N |