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Chemical ID: 4141444
Chemical ID:
4141444
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CCN(CC3C(=O)N2)C(=O)C4CCCC4
InChi [?]:
InChI=1/C18H21N3O3/c22-16-15-11-20(17(23)12-5-1-2-6-12)9-10-21(15)18(24)13-7-3-4-8-14(13)19-16/h3-4,7-8,12,15H,1-2,5-6,9-11H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:22,23,1,2,21,24,6,3,11,10,13,20,5,4,14,15,18,7,17,12,9,16,19,8/E:(1,2)(5,6)/rA:24cCCCCCCCONCCNCCCONCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s4s15;s12;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.9952 |
Area: | 501.51 |
Solvation: | -3.54256 |
Coulombic: | -54.5377 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 327.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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