Chemical ID: 3967274

CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C
Chemical ID:
3967274
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C
InChi [?]:
InChI=1/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,25,2,4,21,20,22,13,24,15,10,14,9,19,23,17,12,18,6,16,8,11,3,7/E:(1,2)(4,5)/rA:25cCCNCCCONCCNCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s12s19;s9d23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:11.0026
Area:539.975
Solvation:-2.49677
Coulombic:-47.2332
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.447
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.23
LogP (Chemaxon):2.35

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Descriptor Annotations

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