Chemical ID: 5982720

Cc1ccc(c(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NCCc4ccc(c(c4)OC)OC)C
Chemical ID:
5982720
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NCCc4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C29H31N3O4/c1-19-9-10-20(2)25(15-19)32-26(18-24(31-32)22-7-6-8-23(17-22)34-3)29(33)30-14-13-21-11-12-27(35-4)28(16-21)36-5/h6-12,15-18H,13-14H2,1-5H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,36,20,35,33,15,14,16,3,4,27,28,25,24,7,31,18,10,2,5,26,13,17,11,6,9,29,30,21,23,12,8,22,19,34,32/rA:36nCCCCCCCNCCCNCCCCCCOCCONCCCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s9;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31N3O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.0532
Area:738.98
Solvation:-7.42131
Coulombic:-50.3994
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:485.574
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.45
LogP (Chemaxon):4.95

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue