Chemical ID: 7213650

Cc1c(ncs1)C(=O)N2C(C=C(N2)c3ccc(cc3)F)c4ccccc4O
Chemical ID:
7213650
Name [?]:
[3-(4-fluorophenyl)-5-(2-hydroxyphenyl)-2,5-dihydropyrazol-1-yl]-(5-methylthiazol-4-yl)-methanone
SMILES [?]:
Cc1c(ncs1)C(=O)N2C(C=C(N2)c3ccc(cc3)F)c4ccccc4O
InChi [?]:
InChI=1/C20H16FN3O2S/c1-12-19(22-11-27-12)20(26)24-17(15-4-2-3-5-18(15)25)10-16(23-24)13-6-8-14(21)9-7-13/h2-11,17,23,25H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,25,15,19,16,18,11,5,2,14,17,21,12,10,26,3,7,20,4,13,9,27,8,6/E:(6,7)(8,9)/rA:27cCCCNCSCONCCCNCCCCCCFCCCCCCO/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s10;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16FN3O2S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1615
Area:565.429
Solvation:-3.97418
Coulombic:-51.0436
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.424
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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