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Chemical ID: 5407617
Chemical ID:
5407617
Name [?]:
N-(1-isopropyl-5-methyl-2-oxo-indolin-3-ylidene)amino-3-phenyl-propanamide
SMILES [?]:
Cc1ccc2c(c1)C(=NNC(=O)CCc3ccccc3)C(=O)N2C(C)C
InChi [?]:
InChI=1/C21H23N3O2/c1-14(2)24-18-11-9-15(3)13-17(18)20(21(24)26)23-22-19(25)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,18,17,19,16,20,3,14,4,13,7,24,2,15,6,5,11,8,21,10,9,23,12,22/E:(1,2)(5,6)(7,8)/rA:26nCCCCCCCCNNCOCCCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s8;d21;s5s21;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6386 |
Area: | 592.852 |
Solvation: | -4.18269 |
Coulombic: | -37.1753 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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