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Chemical ID: 3967274
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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