Chemical ID: 7209844

CN1C(=O)C(=Cc2ccc(c(c2)OC)OC)C(=N1)c3ccccc3
Chemical ID:
7209844
Name [?]:
4-[(3,4-dimethoxyphenyl)methylene]-2-methyl-5-phenyl-pyrazol-3-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)OC)OC)C(=N1)c3ccccc3
InChi [?]:
InChI=1/C19H18N2O3/c1-21-19(22)15(18(20-21)14-7-5-4-6-8-14)11-13-9-10-16(23-2)17(12-13)24-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,22,21,23,20,24,8,9,6,12,7,19,5,10,11,17,3,18,2,4,15,13/E:(5,6)(7,8)/rA:24nCNCOCCCCCCCCOCOCCNCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s5;s2d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.66988
Area:484.635
Solvation:-5.446
Coulombic:-31.8724
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:322.358
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.48
LogP (Chemaxon):3.22

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Descriptor Annotations

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