Chemical ID: 6460200

CCOc1ccc(cc1OCC)C(Cc2ccccc2)NC(=O)c3cccnc3
Chemical ID:
6460200
Name [?]:
N-[1-(3,4-diethoxyphenyl)-2-phenyl-ethyl]pyridine-3-carboxamide
SMILES [?]:
CCOc1ccc(cc1OCC)C(Cc2ccccc2)NC(=O)c3cccnc3
InChi [?]:
InChI=1/C24H26N2O3/c1-3-28-22-13-12-19(16-23(22)29-4-2)21(15-18-9-6-5-7-10-18)26-24(27)20-11-8-14-25-17-20/h5-14,16-17,21H,3-4,15H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,18,17,19,26,16,20,25,6,5,27,14,8,29,15,7,24,13,4,9,22,28,21,23,3,10/E:(6,7)(9,10)/rA:29cCCOCCCCCCOCCCCCCCCCCNCOCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.59813
Area:628.447
Solvation:-6.11305
Coulombic:-42.1085
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:390.475
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):3.69

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Descriptor Annotations

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