Chemical ID: 4556563

CC1C23CCCN4C2C5(C1(C(C3)C(=O)OC)Nc6c5cccc6)CC4
Chemical ID:
4556563
Name [?]:
None
SMILES [?]:
CC1C23CCCN4C2C5(C1(C(C3)C(=O)OC)Nc6c5cccc6)CC4
InChi [?]:
InChI=1/C21H26N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-4,6-7,13,15,18,22H,5,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,21,22,5,20,23,4,24,6,25,12,2,19,11,18,13,8,3,9,10,17,7,14,15/rA:25cCCCCCCNCCCCCCOOCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s2s9;s10;s3s11;s11;d13;s13;s15;s10;s17;s9s18;d19;s20;d21;d18s22;s9;s7s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:7
ZAP Information [?]
Total:21.7122
Area:0.0
Solvation:21.7122
Coulombic:0.0
Bond Count [?]
All:30
Single:26
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.443
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.27
LogP (Chemaxon):2.29

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Descriptor Annotations

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