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Chemical ID: 6551388
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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