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Chemical ID: 6445761
Chemical ID:
6445761
Name [?]:
5-bromo-N-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyleneamino]-2-methoxy-benzamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)C)C=NNC(=O)c3cc(ccc3OC)Br
InChi [?]:
InChI=1/C25H25BrN2O4/c1-4-31-24-13-19(9-11-23(24)32-16-18-7-5-17(2)6-8-18)15-27-28-25(29)21-14-20(26)10-12-22(21)30-3/h5-15H,4,16H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,18,31,2,14,16,13,17,7,27,8,28,5,25,19,11,15,12,6,26,24,29,9,4,22,32,20,21,23,30,3,10/E:(5,6)(7,8)/rA:32nCCOCCCCCCOCCCCCCCCCNNCOCCCCCCOCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25BrN2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90837 |
Area: | 709.16 |
Solvation: | -8.82063 |
Coulombic: | -40.4936 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 497.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.84 |
LogP (Chemaxon): | 5.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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