Chemical ID: 5468827

COc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2)C(=O)OC
Chemical ID:
5468827
Name [?]:
methyl 3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoate
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C19H19NO5/c1-23-16-9-7-13(11-17(16)24-2)8-10-18(21)20-15-6-4-5-14(12-15)19(22)25-3/h4-12H,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,25,18,19,17,5,11,4,12,7,21,6,20,16,3,8,13,22,15,14,23,2,9,24/rA:25nCOCCCCCCOCCCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.31709
Area:558.723
Solvation:-6.65099
Coulombic:-54.6685
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:341.358
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.76
LogP (Chemaxon):2.74

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Descriptor Annotations

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