Chemical ID: 4172977

COc1ccc(cc1OC)CN2CCc3c4ccccc4[nH]c3C2
Chemical ID:
4172977
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)CN2CCc3c4ccccc4[nH]c3C2
InChi [?]:
InChI=1/C20H22N2O2/c1-23-19-8-7-14(11-20(19)24-2)12-22-10-9-16-15-5-3-4-6-17(15)21-18(16)13-22/h3-8,11,21H,9-10,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,19,17,20,5,4,14,13,7,11,24,6,16,15,21,23,3,8,22,12,2,9/rA:24cCOCCCCCCOCCNCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;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:7.61778
Area:521.356
Solvation:-5.41612
Coulombic:-30.7648
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:2.97
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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