N-{1-[2-({4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene)hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{1-[2-({4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene)hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}-3,5-dinitrobenzamide
N-{1-[2-({4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene)hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8003-8840 |
| Compound Name: | N-{1-[2-({4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}methylidene)hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl}-3,5-dinitrobenzamide |
| Molecular Weight: | 692.48 |
| Molecular Formula: | C31 H26 Br N5 O9 |
| Smiles: | COc1cc(/C=N/NC(C(Cc2ccc(cc2)O)NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)=O)ccc1OCc1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.386 |
| logD: | 5.3852 |
| logSw: | -5.3588 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 158.923 |
| InChI Key: | KXZQVDDJXFTAGM-MHZLTWQESA-N |