Chemical ID: 6627579

c1cc(ccc1COc2ccc(cc2)C=NNC(=O)c3ccc4c(c3)OCO4)Cl
Chemical ID:
6627579
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc(ccc1COc2ccc(cc2)C=NNC(=O)c3ccc4c(c3)OCO4)Cl
InChi [?]:
InChI=1/C22H17ClN2O4/c23-18-6-1-16(2-7-18)13-27-19-8-3-15(4-9-19)12-24-25-22(26)17-5-10-20-21(11-17)29-14-28-20/h1-12H,13-14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,11,13,21,2,4,10,14,22,25,15,7,27,12,6,20,3,9,23,24,18,29,16,17,19,8,28,26/E:(1,2)(3,4)(6,7)(8,9)/rA:29nCCCCCCCOCCCCCCCNNCOCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.71917
Area:639.304
Solvation:-6.26342
Coulombic:-44.3411
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:408.834
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.0
LogP (Chemaxon):4.97

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