Chemical ID: 5984920

CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccccc3Cl)c4ccccc4F
Chemical ID:
5984920
Name [?]:
[2-(2-chlorophenyl)-5-(2-fluorophenyl)-pyrazol-3-yl]-(2,6-dimethylmorpholin-4-yl)-methanone
SMILES [?]:
CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccccc3Cl)c4ccccc4F
InChi [?]:
InChI=1/C22H21ClFN3O2/c1-14-12-26(13-15(2)29-14)22(28)21-11-19(16-7-3-5-9-18(16)24)25-27(21)20-10-6-4-8-17(20)23/h3-11,14-15H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,25,19,26,18,24,20,27,17,12,3,5,2,6,23,21,28,13,16,11,9,22,29,14,4,15,10,7/E:(1,2)(12,13)(14,15)/rA:29cCCCNCCOCCOCCCNNCCCCCCClCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s21;s13;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21ClFN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.49821
Area:593.021
Solvation:-5.32732
Coulombic:-35.88
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.872
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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