Chemical ID: 5986119

CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccc(cc3OC)OC
Chemical ID:
5986119
Name [?]:
5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)OC)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C23H27N3O4/c1-6-15(2)24-23(27)21-14-20(19-12-11-18(29-4)13-22(19)30-5)25-26(21)16-7-9-17(28-3)10-8-16/h7-15H,6H2,1-5H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,4,20,30,28,2,14,18,15,17,23,22,25,9,3,13,16,24,21,10,8,26,6,5,11,12,7,19,29,27/E:(7,8)(9,10)/rA:30cCCCCNCOCCCNNCCCCCCOCCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s23;d24;d21s25;s26;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.21653
Area:651.73
Solvation:-7.07672
Coulombic:-48.0741
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:409.478
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.42
LogP (Chemaxon):3.21

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Descriptor Annotations

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