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Chemical ID: 4136690
Chemical ID:
4136690
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-2-28-21-13-7-19(8-14-21)23(27)26-25-15-17-5-11-22(12-6-17)29-16-18-3-9-20(24)10-4-18/h3-15H,2,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,24,28,16,20,6,8,25,27,17,19,5,9,14,22,15,23,7,26,4,18,10,29,13,12,11,3,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCOCCCCCCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8415 |
Area: | 662.554 |
Solvation: | -5.72232 |
Coulombic: | -36.4612 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.877 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.58 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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