5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-1280 |
| Compound Name: | 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C17 H14 N4 O5 |
| Smiles: | Cc1cc(C=C2C(NC(NC2=O)=O)=O)c(C)n1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4708 |
| logD: | 1.3752 |
| logSw: | -2.3048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.689 |
| InChI Key: | LJMUMSFXMCWURL-UHFFFAOYSA-N |