Chemical ID: 4487143

CC(C)CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)Br
Chemical ID:
4487143
Name [?]:
None
SMILES [?]:
CC(C)CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)Br
InChi [?]:
InChI=1/C26H28BrNO5/c1-16(2)10-13-32-19-7-4-6-17(14-19)23-22-24(29)20-15-18(27)8-9-21(20)33-25(22)26(30)28(23)11-5-12-31-3/h4,6-9,14-16,23H,5,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,32,9,29,10,8,20,21,4,28,30,5,12,18,2,11,19,7,17,22,14,13,15,24,25,33,27,16,26,31,6,23/E:(1,2)/rA:33cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOCBr/rB:s1;s2;s2;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:C26H28BrNO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.2185
Area:726.648
Solvation:-5.94771
Coulombic:-50.6614
Bond Count [?]
All:36
Single:27
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:514.408
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.16
LogP (Chemaxon):4.62

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Descriptor Annotations

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