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Chemical ID: 5985934
Chemical ID:
5985934
Name [?]:
5-(2,4-dimethoxyphenyl)-N-(1-methyl-3-phenyl-propyl)-2-phenyl-pyrazole-3-carboxamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)c2cc(nn2c3ccccc3)c4ccc(cc4OC)OC
InChi [?]:
InChI=1/C28H29N3O3/c1-20(14-15-21-10-6-4-7-11-21)29-28(32)26-19-25(30-31(26)22-12-8-5-9-13-22)24-17-16-23(33-2)18-27(24)34-3/h4-13,16-20H,14-15H2,1-3H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,34,32,8,22,7,9,21,23,6,10,20,24,3,4,27,26,29,15,2,5,19,28,25,16,14,30,12,11,17,18,13,33,31/E:(6,7)(8,9)(10,11)(12,13)/rA:34cCCCCCCCCCCNCOCCCNNCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s27;d28;d25s29;s30;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H29N3O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.774 |
Area: | 723.162 |
Solvation: | -6.30505 |
Coulombic: | -43.4667 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 455.548 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.95 |
LogP (Chemaxon): | 5.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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