Chemical ID: 5772049

Cc1c(c2ccccc2[nH]1)CCNC(=O)CN3C(=O)c4ccccc4C3=O
Chemical ID:
5772049
Name [?]:
2-(1,3-dioxoisoindolin-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)CCNC(=O)CN3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C21H19N3O3/c1-13-14(15-6-4-5-9-18(15)23-13)10-11-22-19(25)12-24-20(26)16-7-2-3-8-17(16)21(24)27/h2-9,23H,10-12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,22,23,6,7,5,21,24,8,11,12,16,2,3,4,20,25,9,14,18,26,13,10,17,15,19,27/E:(2,3)(7,8)(16,17)(20,21)(26,27)/rA:27nCCCCCCCCCNCCNCOCNCOCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5475
Area:585.886
Solvation:-4.09963
Coulombic:-58.2446
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:361.394
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.48
LogP (Chemaxon):1.99

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Descriptor Annotations

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