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Chemical ID: 4917853
Chemical ID:
4917853
Name [?]:
None
SMILES [?]:
CCN(CC)CCC(=O)N1CCc2c3ccccc3[nH]c2C1c4cccnc4
InChi [?]:
InChI=1/C23H28N4O/c1-3-26(4-2)14-12-21(28)27-15-11-19-18-9-5-6-10-20(18)25-22(19)23(27)17-8-7-13-24-16-17/h5-10,13,16,23,25H,3-4,11-12,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,16,17,25,24,15,18,12,7,26,6,11,28,23,14,13,19,8,21,22,27,20,3,10,9/E:(1,2)(3,4)/rA:28cCCNCCCCCONCCCCCCCCCNCCCCCCNC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s10s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N4O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3187 |
Area: | 598.684 |
Solvation: | -3.64838 |
Coulombic: | -36.8306 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.495 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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