Chemical ID: 7388634

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCCOC(C)C
Chemical ID:
7388634
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCCOC(C)C
InChi [?]:
InChI=1/C25H26ClNO6/c1-13(2)32-9-5-8-27-22(15-6-7-18(28)20(11-15)31-4)21-23(29)16-12-17(26)14(3)10-19(16)33-24(21)25(27)30/h6-7,10-13,22,28H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:32,33,1,25,28,19,20,27,29,3,23,6,31,2,18,5,7,21,4,22,11,17,9,12,14,8,16,26,10,15,24,30,13/E:(1,2)/rA:33cCCCCCCCClCOCCOCONCCCCCCCOCOCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;s28;s29;s30;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26ClNO6
All Atoms:59
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.5421
Area:708.552
Solvation:-7.17165
Coulombic:-65.0938
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:471.93
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.83
LogP (Chemaxon):3.75

Name Annotations

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Descriptor Annotations

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