Chemical ID: 5405397

c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)N4CCCC4
Chemical ID:
5405397
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)N4CCCC4
InChi [?]:
InChI=1/C17H19N3O3/c21-14(19-9-3-4-10-19)11-20-15(22)17(18-16(20)23)8-7-12-5-1-2-6-13(12)17/h1-2,5-6H,3-4,7-11H2,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,6,3,7,8,20,23,16,5,4,17,10,13,9,15,19,12,18,11,14/E:(3,4)(9,10)/rA:23cCCCCCCCCCCONCONCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s17;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.87967
Area:495.981
Solvation:-3.51986
Coulombic:-56.4411
Bond Count [?]
All:26
Single:20
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:313.351
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.51
LogP (Chemaxon):0.6

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Descriptor Annotations

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