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Chemical ID: 5580125
Chemical ID:
5580125
Name [?]:
N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]-3-(2-methylbenzoimidazol-1-yl)-propanamide
SMILES [?]:
Cc1nc2ccccc2n1CCC(=O)NN=Cc3ccc(c(c3)OC)O
InChi [?]:
InChI=1/C19H20N4O3/c1-13-21-15-5-3-4-6-16(15)23(13)10-9-19(25)22-20-12-14-7-8-17(24)18(11-14)26-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,6,7,5,8,19,20,12,11,23,17,2,18,4,9,21,22,13,16,3,15,10,26,14,24/rA:26nCCNCCCCCCNCCCONNCCCCCCCOCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N4O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98007 |
Area: | 584.426 |
Solvation: | -6.63058 |
Coulombic: | -51.3272 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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