Chemical ID: 5898352

c1cc(oc1)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)NCc4ccc(cc4)F
Chemical ID:
5898352
Name [?]:
2-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
c1cc(oc1)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)NCc4ccc(cc4)F
InChi [?]:
InChI=1/C21H14Cl2FN3O2/c22-16-8-7-15(10-17(16)23)27-19(11-18(26-27)20-2-1-9-29-20)21(28)25-12-13-3-5-14(24)6-4-13/h1-11H,12H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,24,28,25,27,12,13,5,16,7,22,23,26,11,14,15,6,8,3,19,18,17,29,21,10,9,20,4/E:(3,4)(5,6)/rA:29nCCCOCCCCNNCCCCCCClClCONCCCCCCCF/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s9;s11;d12;s13;d14;d11s15;s15;s14;s8;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2FN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0226
Area:641.73
Solvation:-4.02066
Coulombic:-40.8299
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:430.259
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.25
LogP (Chemaxon):4.65

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Descriptor Annotations

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