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Chemical ID: 4616922
Chemical ID:
4616922
Name [?]:
N-(1-isopropyl-2-oxo-indolin-3-ylidene)amino-2-(2-phenylacetyl)amino-acetamide
SMILES [?]:
CC(C)N1c2ccccc2C(=NNC(=O)CNC(=O)Cc3ccccc3)C1=O
InChi [?]:
InChI=1/C21H22N4O3/c1-14(2)25-17-11-7-6-10-16(17)20(21(25)28)24-23-19(27)13-22-18(26)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,8,7,22,26,9,6,20,16,2,21,10,5,18,14,11,27,17,13,12,4,19,15,28/E:(1,2)(4,5)(8,9)/rA:28nCCCNCCCCCCCNNCOCNCOCCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s4s11;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3066 |
Area: | 625.182 |
Solvation: | -5.32299 |
Coulombic: | -57.5833 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 378.425 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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