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Chemical ID: 5987136
Chemical ID:
5987136
Name [?]:
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)N(C)CCc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C28H28ClN3O3/c1-19-9-12-21(13-10-19)32-25(18-24(30-32)22-7-5-6-8-23(22)29)28(33)31(2)16-15-20-11-14-26(34-3)27(17-20)35-4/h5-14,17-18H,15-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,35,33,15,16,14,17,3,7,27,4,6,28,25,24,31,10,2,26,5,13,18,11,9,29,30,20,19,12,22,8,21,34,32/E:(9,10)(12,13)/rA:35nCCCCCCCNCCCNCCCCCCClCONCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s22;s24;s25;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28ClN3O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5211 |
Area: | 736.936 |
Solvation: | -6.90227 |
Coulombic: | -38.9193 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 489.993 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.07 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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