Chemical ID: 4136690

CCOc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue