Chemical ID: 4813300

COc1ccc(c(c1)OC)C2=NN3C(C2)c4ccccc4OC35CCN(CC5)Cc6ccccc6
Chemical ID:
4813300
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)OC)C2=NN3C(C2)c4ccccc4OC35CCN(CC5)Cc6ccccc6
InChi [?]:
InChI=1/C29H31N3O3/c1-33-22-12-13-23(28(18-22)34-2)25-19-26-24-10-6-7-11-27(24)35-29(32(26)30-25)14-16-31(17-15-29)20-21-8-4-3-5-9-21/h3-13,18,26H,14-17,19-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,33,32,34,18,19,31,35,17,20,4,5,24,28,25,27,8,15,29,30,3,6,16,11,14,21,7,23,12,26,13,2,9,22/E:(4,5)(8,9)(14,15)(16,17)/rA:35cCOCCCCCCOCCNNCCCCCCCCOCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11s14;s14;s16;d17;s18;d19;d16s20;s21;s13s22;s23;s24;s25;s26;s23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31N3O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:10.5439
Area:694.047
Solvation:-6.80723
Coulombic:-33.5481
Bond Count [?]
All:40
Single:30
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:469.575
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.53
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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