5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4920-0546 |
| Compound Name: | 5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(CC=C)C2=O)=S)=O)c(C)n1c1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7499 |
| logD: | 1.7341 |
| logSw: | -1.996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.272 |
| InChI Key: | XSOJBIBLQOOXEN-UHFFFAOYSA-N |