N,N'-[quinazoline-2,4-diyldi(4,1-phenylene)]bis{4-nitro-2-[3-(4-nitrophenyl)prop-2-enamido]benzamide}
Chemical Structure Depiction of
N,N'-[quinazoline-2,4-diyldi(4,1-phenylene)]bis{4-nitro-2-[3-(4-nitrophenyl)prop-2-enamido]benzamide}
N,N'-[quinazoline-2,4-diyldi(4,1-phenylene)]bis{4-nitro-2-[3-(4-nitrophenyl)prop-2-enamido]benzamide}
Compound characteristics
| Compound ID: | 8002-8788 |
| Compound Name: | N,N'-[quinazoline-2,4-diyldi(4,1-phenylene)]bis{4-nitro-2-[3-(4-nitrophenyl)prop-2-enamido]benzamide} |
| Molecular Weight: | 990.91 |
| Molecular Formula: | C52 H34 N10 O12 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C(Nc1cc(ccc1C(Nc1ccc(cc1)c1c2ccccc2nc(c2ccc(cc2)NC(c2ccc(cc2NC(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)[N+]([O-])=O)=O)n1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 9.9289 |
| logD: | 9.908 |
| logSw: | -6.4865 |
| Hydrogen bond acceptors count: | 26 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 242.82 |
| InChI Key: | BTPINDPYDUDYPZ-UHFFFAOYSA-N |