Chemical ID: 4141444

c1ccc2c(c1)C(=O)N3CCN(CC3C(=O)N2)C(=O)C4CCCC4
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

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