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Chemical ID: 7308022
Chemical ID:
7308022
Name [?]:
N-[1-(benzamidocarbamoyl)-2-(1H-indol-3-yl)ethyl]acetamide
SMILES [?]:
CC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3ccccc3
InChi [?]:
InChI=1/C20H20N4O3/c1-13(25)22-18(11-15-12-21-17-10-6-5-9-16(15)17)20(27)24-23-19(26)14-7-3-2-4-8-14/h2-10,12,18,21H,11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,13,14,23,27,12,15,6,8,2,22,7,11,10,5,20,16,9,4,19,18,3,21,17/E:(3,4)(7,8)/rA:27cCCONCCCCNCCCCCCCONNCOCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s5;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N4O3 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.81042 |
Area: | 586.237 |
Solvation: | -4.84551 |
Coulombic: | -67.8335 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 364.398 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.52 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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