Chemical ID: 5277206

CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NC4CCCCC4)C(=O)c5ccc(cc5)Cl
Chemical ID:
5277206
Name [?]:
None
SMILES [?]:
CC1(C2C1(C(=O)Oc3c2cccc3)C(=O)NC4CCCCC4)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H24ClNO4/c1-24(21(28)15-11-13-16(26)14-12-15)20-18-9-5-6-10-19(18)31-23(30)25(20,24)22(29)27-17-7-3-2-4-8-17/h5-6,9-14,17,20H,2-4,7-8H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,11,12,18,22,10,13,26,30,27,29,25,28,17,9,8,3,23,14,5,2,4,31,16,24,15,6,7/E:(3,4)(7,8)(11,12)(13,14)/rA:31cCCCCCOOCCCCCCCONCCCCCCCOCCCCCCCl/rB:s1;s2;s2s3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s4;d14;s14;s16;s17;s18;s19;s20;s17s21;s2;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24ClNO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:12.4588
Area:621.865
Solvation:-3.0878
Coulombic:-48.8244
Bond Count [?]
All:35
Single:26
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:437.915
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.39
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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