Chemical ID: 5580125

Cc1nc2ccccc2n1CCC(=O)NN=Cc3ccc(c(c3)OC)O
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

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