Chemical ID: 7531429

COc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)c4ccccc4
Chemical ID:
7531429
Name [?]:
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C25H24ClN3O3/c1-32-23-12-7-19(17-22(23)26)24(30)27-20-8-10-21(11-9-20)28-13-15-29(16-14-28)25(31)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,30,29,31,28,32,5,14,18,15,17,4,20,24,21,23,7,27,6,13,16,8,3,10,25,9,12,19,22,11,26,2/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:32nCOCCCCCCClCONCCCCCCNCCNCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s19s23;s22;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24ClN3O3
All Atoms:56
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:11.9693
Area:682.918
Solvation:-5.10362
Coulombic:-53.6216
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.89
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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