Chemical ID: 5991652

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N(C)CCc4ccc(c(c4)OC)OC
Chemical ID:
5991652
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methyl-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N(C)CCc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C26H26FN3O4/c1-17-5-11-23(34-17)21-16-22(30(28-21)20-9-7-19(27)8-10-20)26(31)29(2)14-13-18-6-12-24(32-3)25(15-18)33-4/h5-12,15-16H,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,34,32,3,26,14,16,13,17,4,27,24,23,30,8,2,25,15,12,7,9,5,28,29,19,18,11,21,10,20,33,31,6/E:(7,8)(9,10)/rA:34nCCCCCOCCCNNCCCCCCFCONCCCCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26FN3O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.2298
Area:711.387
Solvation:-7.55484
Coulombic:-48.5476
Bond Count [?]
All:37
Single:26
Double:11
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:463.501
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.11
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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