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Chemical ID: 7531429
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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Chemical Mix | Source | External ID | Descriptor | Value |
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