Chemical ID: 6493190

CCCN1CC(=Cc2ccc(cc2Cl)Cl)C(=O)C(=Cc3ccc(cc3Cl)Cl)C1
Chemical ID:
6493190
Name [?]:
3,5-bis[(2,4-dichlorophenyl)methylene]-1-propyl-piperidin-4-one
SMILES [?]:
CCCN1CC(=Cc2ccc(cc2Cl)Cl)C(=O)C(=Cc3ccc(cc3Cl)Cl)C1
InChi [?]:
InChI=1/C22H19Cl4NO/c1-2-7-27-12-16(8-14-3-5-18(23)10-20(14)25)22(28)17(13-27)9-15-4-6-19(24)11-21(15)26/h3-6,8-11H,2,7,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,21,10,22,3,7,19,12,24,5,28,8,20,6,18,11,23,13,25,16,15,27,14,26,4,17/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(25,26)/rA:28nCCCNCCCCCCCCCClClCOCCCCCCCCClClC/rB:s1;s2;s3;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s11;s6;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19Cl4NO
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:14.0821
Area:659.028
Solvation:-2.39356
Coulombic:-18.2266
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:455.203
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.66
LogP (Chemaxon):6.64

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Descriptor Annotations

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