5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3270-1009 |
| Compound Name: | 5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C26 H24 N4 O5 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2cc(C)n(c3ccc(C)c(c3)[N+]([O-])=O)c2C)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5535 |
| logD: | 4.5503 |
| logSw: | -4.4596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.136 |
| InChI Key: | FCRFHXPEPNKGJB-UHFFFAOYSA-N |