Chemical ID: 5987126

Cc1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCCc4ccc(c(c4)OC)OC
Chemical ID:
5987126
Name [?]:
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCCc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C27H26ClN3O3/c1-18-8-11-20(12-9-18)31-24(17-23(30-31)21-6-4-5-7-22(21)28)27(32)29-15-14-19-10-13-25(33-2)26(16-19)34-3/h4-13,16-17H,14-15H2,1-3H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,34,32,15,16,14,17,3,7,26,4,6,27,24,23,30,10,2,25,5,13,18,11,9,28,29,20,19,22,12,8,21,33,31/E:(8,9)(11,12)/rA:34nCCCCCCCNCCCNCCCCCCClCONCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26ClN3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.2269
Area:728.136
Solvation:-6.97651
Coulombic:-43.2052
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:475.966
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.93
LogP (Chemaxon):5.26

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Descriptor Annotations

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