Chemical ID: 7080591

CCCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)Cl
Chemical ID:
7080591
Name [?]:
None
SMILES [?]:
CCCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)Cl
InChi [?]:
InChI=1/C26H28ClNO5/c1-3-4-5-14-32-19-9-6-8-17(15-19)23-22-24(29)20-16-18(27)10-11-21(20)33-25(22)26(30)28(23)12-7-13-31-2/h6,8-11,15-16,23H,3-5,7,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,4,9,29,10,8,20,21,28,30,5,12,18,11,19,7,17,22,14,13,15,24,25,33,27,16,26,31,6,23/rA:33cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28ClNO5
All Atoms:61
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.4348
Area:738.029
Solvation:-6.01594
Coulombic:-50.8503
Bond Count [?]
All:36
Single:27
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:469.957
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.04
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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