Chemical ID: 6551388

c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C(=O)c4ccccc4C3=O
Chemical ID:
6551388
Name [?]:
2-(1,3-dioxoisoindolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C20H17N3O3/c24-18(12-23-19(25)15-6-1-2-7-16(15)20(23)26)21-10-9-13-11-22-17-8-4-3-5-14(13)17/h1-8,11,22H,9-10,12H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:21,22,1,2,6,20,23,3,10,11,8,15,7,5,19,24,4,13,17,25,12,9,16,14,18,26/E:(1,2)(6,7)(15,16)(19,20)(25,26)/rA:26nCCCCCCCCNCCNCOCNCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s16s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1117
Area:567.947
Solvation:-4.08696
Coulombic:-58.5346
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:347.367
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.25
LogP (Chemaxon):1.98

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Descriptor Annotations

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