Chemical ID: 3969036

CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3
Chemical ID:
3969036
Name [?]:
None
SMILES [?]:
CCC12CCCN3C1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3
InChi [?]:
InChI=1/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,13,14,5,12,15,25,4,6,26,19,11,10,16,18,9,8,20,3,7,17,21,22/rA:26cCCCCCCNCCCCCCCCCNCCCOOCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s17;s3d18;s18;d20;s20;s22;s23;s10;s7s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:10.9007
Area:523.826
Solvation:-2.1949
Coulombic:-33.6189
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.454
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):4.01

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