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Chemical ID: 5862182
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
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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