1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5609-0924 |
| Compound Name: | 1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2cc(C)n(c3ccccn3)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9577 |
| logD: | 3.9533 |
| logSw: | -4.0486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.404 |
| InChI Key: | LBDZWEMCIMQNCI-UHFFFAOYSA-N |