5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-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-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-2311 |
| Compound Name: | 5-{[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | Cc1cc(ccc1n1c(C)cc(C=C2C(N(C)C(N(C)C2=O)=S)=O)c1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4736 |
| logD: | 2.4736 |
| logSw: | -2.7322 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.563 |
| InChI Key: | NVHHKGIGPMEGAU-UHFFFAOYSA-N |