Chemical ID: 3968749

CCN(CC)C(=O)NC1CC2c3cccc4c3c(c[nH]4)CC2N(C1)C
Chemical ID:
3968749
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)NC1CC2c3cccc4c3c(c[nH]4)CC2N(C1)C
InChi [?]:
InChI=1/C20H28N4O/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/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,25,2,4,14,13,15,21,10,19,24,18,9,12,11,16,22,17,6,20,8,23,3,7/E:(1,2)(4,5)/rA:25cCCNCCCONCCCCCCCCCCCNCCNCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s16s19;s18;s11s21;s22;s9s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N4O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:10.5973
Area:535.1
Solvation:-2.78019
Coulombic:-46.3134
Bond Count [?]
All:28
Single:23
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.463
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):2.57

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Experimental Annotations

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Descriptor Annotations

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