Chemical ID: 6442898

c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)C=O
Chemical ID:
6442898
Name [?]:
4-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]piperazine-1-carbaldehyde
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)C=O
InChi [?]:
InChI=1/C16H17N3O4/c20-11-17-7-9-18(10-8-17)14(21)5-6-19-15(22)12-3-1-2-4-13(12)16(19)23/h1-4,11H,5-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,12,18,20,17,21,22,5,4,14,7,10,19,16,9,23,15,8,11/E:(1,2)(3,4)(7,8)(9,10)(12,13)(15,16)(22,23)/rA:23nCCCCCCCONCOCCCONCCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.01951
Area:518.147
Solvation:-4.93416
Coulombic:-55.6727
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.324
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:-0.2
LogP (Chemaxon):-1.02

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