Chemical ID: 5991653

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N(CCc4ccccc4)Cc5ccccc5
Chemical ID:
5991653
Name [?]:
N-benzyl-2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-N-phenethyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N(CCc4ccccc4)Cc5ccccc5
InChi [?]:
InChI=1/C30H26FN3O2/c1-22-12-17-29(36-22)27-20-28(34(32-27)26-15-13-25(31)14-16-26)30(35)33(21-24-10-6-3-7-11-24)19-18-23-8-4-2-5-9-23/h2-17,20H,18-19,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,34,26,28,33,35,25,29,32,36,3,14,16,13,17,4,23,22,8,30,2,24,31,15,12,7,9,5,19,18,11,21,10,20,6/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:36nCCCCCOCCCNNCCCCCCFCONCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s21;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26FN3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.8763
Area:722.138
Solvation:-4.1772
Coulombic:-38.0525
Bond Count [?]
All:40
Single:26
Double:14
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.545
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.26
LogP (Chemaxon):5.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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