Chemical ID: 5862182

COc1ccc(cc1OC)C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3
Chemical ID:
5862182
Name [?]:
N-[(3,4-dimethoxyphenyl)methyleneaminocarbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C19H19N3O6/c1-25-14-5-3-12(7-16(14)26-2)9-21-22-18(23)10-20-19(24)13-4-6-15-17(8-13)28-11-27-15/h3-9H,10-11H2,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,4,22,7,25,11,16,27,6,20,3,23,8,24,14,18,17,12,13,15,19,2,9,28,26/rA:28nCOCCCCCCOCCNNCOCNCOCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.32984
Area:618.768
Solvation:-9.13937
Coulombic:-68.6562
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:385.371
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.49
LogP (Chemaxon):1.35

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