Chemical ID: 7441918

CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NCc4ccccc4)C(=O)c5ccc(cc5)Cl
Chemical ID:
7441918
Name [?]:
None
SMILES [?]:
CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NCc4ccccc4)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C26H20ClNO4/c1-25(22(29)17-11-13-18(27)14-12-17)21-19-9-5-6-10-20(19)32-24(31)26(21,25)23(30)28-15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,11,12,19,23,10,13,27,31,28,30,17,18,26,29,9,8,3,24,14,5,2,4,32,16,25,15,6,7/E:(3,4)(7,8)(11,12)(13,14)/rA:32cCCCCCOOCCCCCCCONCCCCCCCCOCCCCCCCl/rB:s1;s2;s2s3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s4;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s2;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20ClNO4
All Atoms:52
Heavy Atoms:32
Chiral Atoms:3
ZAP Information [?]
Total:12.627
Area:643.358
Solvation:-3.45697
Coulombic:-49.6994
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.894
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.27
LogP (Chemaxon):4.82

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Descriptor Annotations

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