Chemical ID: 6763007

CCOc1ccc(cc1OC)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2CCC[NH+](C)C)C)C
Chemical ID:
6763007
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OC)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2CCC[NH+](C)C)C)C
InChi [?]:
InChI=1/C27H32N2O5/c1-7-33-20-10-9-18(15-22(20)32-6)24-23-25(30)19-13-16(2)17(3)14-21(19)34-26(23)27(31)29(24)12-8-11-28(4)5/h9-10,13-15,24H,7-8,11-12H2,1-6H3/p+1
InChi Info:
AuxInfo=1/1/N:1,34,33,31,32,11,2,28,6,5,29,27,17,20,8,18,19,7,16,4,21,9,13,12,14,23,24,30,26,15,25,10,3,22/E:(4,5)/rA:34cCCOCCCCCCOCCCCOCCCCCCOCCONCCCN+CCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;s29;s30;s30;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33N2O5+
All Atoms:67
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-21.3081
Area:698.891
Solvation:-38.7804
Coulombic:-17.3783
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:465.561
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.49
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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