Chemical ID: 7431655

CCN1CCN(CC1)CN2c3ccccc3C(=O)C2=O
Chemical ID:
7431655
Name [?]:
1-[(4-ethylpiperazin-1-yl)methyl]indoline-2,3-dione
SMILES [?]:
CCN1CCN(CC1)CN2c3ccccc3C(=O)C2=O
InChi [?]:
InChI=1/C15H19N3O2/c1-2-16-7-9-17(10-8-16)11-18-13-6-4-3-5-12(13)14(19)15(18)20/h3-6H,2,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,4,8,5,7,9,16,11,17,19,3,6,10,18,20/E:(7,8)(9,10)/rA:20nCCNCCNCCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O2
All Atoms:39
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.28598
Area:457.049
Solvation:-3.14025
Coulombic:-36.7453
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.33
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.78
LogP (Chemaxon):1.37

Name Annotations

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Descriptor Annotations

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