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Chemical ID: 7289828
Chemical ID:
7289828
Name [?]:
N-(3-chloro-4-cyano-phenyl)-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
COc1cc(cc(c1OC)OC)CCC(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C19H19ClN2O4/c1-24-16-8-12(9-17(25-2)19(16)26-3)4-7-18(23)22-14-6-5-13(11-21)15(20)10-14/h5-6,8-10H,4,7H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,13,20,19,14,4,6,23,25,5,21,18,22,3,7,15,8,24,26,17,16,2,11,9/E:(1,2)(8,9)(16,17)(24,25)/rA:26nCOCCCCCCOCOCCCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN2O4 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85275 |
Area: | 609.475 |
Solvation: | -7.38412 |
Coulombic: | -44.3163 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.818 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.66 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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