4-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate
Chemical Structure Depiction of
4-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate
4-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate
Compound characteristics
| Compound ID: | 2368-1154 |
| Compound Name: | 4-(3-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate |
| Molecular Weight: | 477.9 |
| Molecular Formula: | C25 H20 Cl N3 O5 |
| Smiles: | CC(=O)Oc1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.2067 |
| logD: | 3.1264 |
| logSw: | -3.9221 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.807 |
| InChI Key: | ZGSFUXVHIFFSGB-UHFFFAOYSA-N |