Chemical ID: 6478348

Cc1ccc(cc1NC2=C(C(=O)CC(C2)c3ccccc3)Cl)C(C)C
Chemical ID:
6478348
Name [?]:
2-chloro-3-(5-isopropyl-2-methyl-phenyl)amino-5-phenyl-cyclohex-2-en-1-one
SMILES [?]:
Cc1ccc(cc1NC2=C(C(=O)CC(C2)c3ccccc3)Cl)C(C)C
InChi [?]:
InChI=1/C22H24ClNO/c1-14(2)17-10-9-15(3)19(11-17)24-20-12-18(13-21(25)22(20)23)16-7-5-4-6-8-16/h4-11,14,18,24H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,19,18,20,17,21,3,4,6,15,13,23,2,16,5,14,7,9,11,10,22,8,12/E:(1,2)(5,6)(7,8)/rA:25cCCCCCCCNCCCOCCCCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;s13;s9s14;s14;s16;d17;s18;d19;d16s20;s10;s5;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClNO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.641
Area:564.089
Solvation:-2.46126
Coulombic:-21.7133
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.885
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.31
LogP (Chemaxon):5.64

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