Chemical ID: 4175363

COc1cc(cc(c1)OC)CN2CCc3c4ccccc4[nH]c3C2
Chemical ID:
4175363
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1)OC)CN2CCc3c4ccccc4[nH]c3C2
InChi [?]:
InChI=1/C20H22N2O2/c1-23-15-9-14(10-16(11-15)24-2)12-22-8-7-18-17-5-3-4-6-19(17)21-20(18)13-22/h3-6,9-11,21H,7-8,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,19,17,20,14,13,4,6,8,11,24,5,3,7,16,15,21,23,22,12,2,9/E:(1,2)(9,10)(15,16)(23,24)/rA:24cCOCCCCCCOCCNCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;d15s22;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.58204
Area:525.044
Solvation:-4.54405
Coulombic:-30.7204
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.401
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.35

Name Annotations

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Descriptor Annotations

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