Chemical ID: 5985940

CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)C)c3ccc(cc3OC)OC
Chemical ID:
5985940
Name [?]:
5-(2,4-dimethoxyphenyl)-2-(p-tolyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)C)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C23H27N3O3/c1-6-16(3)24-23(27)21-14-20(19-12-11-18(28-4)13-22(19)29-5)25-26(21)17-9-7-15(2)8-10-17/h7-14,16H,6H2,1-5H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,19,4,29,27,2,15,17,14,18,22,21,24,9,16,3,13,23,20,10,8,25,6,5,11,12,7,28,26/E:(7,8)(9,10)/rA:29cCCCCNCOCCCNNCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s22;d23;d20s24;s25;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.97869
Area:635.073
Solvation:-5.89814
Coulombic:-41.6069
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:393.479
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.95
LogP (Chemaxon):3.93

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Descriptor Annotations

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