5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4920-0299 |
| Compound Name: | 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1cc(C=C2C(N(C)C(N(C)C2=O)=S)=O)c(C)n1c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 0.7222 |
| logD: | -0.6779 |
| logSw: | -1.5704 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.911 |
| InChI Key: | XCEWNDQUGDHZOM-UHFFFAOYSA-N |