5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-0446 |
| Compound Name: | 5-{[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 360.71 |
| Molecular Formula: | C15 H9 Cl N4 O5 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1cccn1c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9444 |
| logD: | 1.6457 |
| logSw: | -3.0443 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.253 |
| InChI Key: | SPCRZGXJCZGULE-UHFFFAOYSA-N |