Chemical ID: 4184661

c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCN4CCNCC4
Chemical ID:
4184661
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCN4CCNCC4
InChi [?]:
InChI=1/C18H19N3O2/c22-17-14-5-1-3-13-4-2-6-15(16(13)14)18(23)21(17)12-11-20-9-7-19-8-10-20/h1-6,19H,7-12H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,20,22,19,23,17,16,3,9,7,8,11,14,21,18,13,12,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)(22,23)/rA:23nCCCCCCCCCCCONCOCCNCCNCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s13;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.68961
Area:488.51
Solvation:-2.52314
Coulombic:-41.5879
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.362
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.66
LogP (Chemaxon):1.05

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Descriptor Annotations

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