Chemical ID: 5210399

CCN(CC)CCNc1c2ccc3cccnc3c2ncc1C(=O)OCC
Chemical ID:
5210399
Name [?]:
None
SMILES [?]:
CCN(CC)CCNc1c2ccc3cccnc3c2ncc1C(=O)OCC
InChi [?]:
InChI=1/C21H26N4O2/c1-4-25(5-2)13-12-23-19-16-10-9-15-8-7-11-22-18(15)20(16)24-14-17(19)21(26)27-6-3/h7-11,14H,4-6,12-13H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,27,2,4,26,15,14,12,11,16,7,6,21,13,10,22,18,9,19,23,17,8,20,3,24,25/E:(1,2)(4,5)/rA:27nCCNCCCCNCCCCCCCCNCCNCCCOOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s19;d20;d9s21;s22;d23;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3588
Area:600.749
Solvation:-3.65989
Coulombic:-46.2722
Bond Count [?]
All:29
Single:21
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:366.457
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.0

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Descriptor Annotations

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