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Chemical ID: 5986260
Chemical ID:
5986260
Name [?]:
2-(3,4-dichlorophenyl)-5-(2,4-dimethoxyphenyl)-N-(2-morpholinoethyl)pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(c(c1)OC)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)NCCN4CCOCC4
InChi [?]:
InChI=1/C24H26Cl2N4O4/c1-32-17-4-5-18(23(14-17)33-2)21-15-22(24(31)27-7-8-29-9-11-34-12-10-29)30(28-21)16-3-6-19(25)20(26)13-16/h3-6,13-15H,7-12H2,1-2H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,10,17,4,5,18,27,28,30,34,31,33,21,8,12,16,3,6,19,20,11,13,7,24,23,22,26,15,29,14,25,2,9,32/E:(9,10)(11,12)/rA:34nCOCCCCCCOCCCCNNCCCCCCClClCONCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d11s14;s14;s16;d17;s18;d19;d16s20;s20;s19;s13;d24;s24;s26;s27;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26Cl2N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9774 |
Area: | 743.896 |
Solvation: | -7.62001 |
Coulombic: | -54.0747 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 505.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.97 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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