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Chemical ID: 7022179
Chemical ID:
7022179
Name [?]:
N-(1-isopentyl-5-methoxy-2-oxo-indolin-3-ylidene)amino-3,4-dimethoxy-benzamide
SMILES [?]:
CC(C)CCN1c2ccc(cc2C(=NNC(=O)c3ccc(c(c3)OC)OC)C1=O)OC
InChi [?]:
InChI=1/C23H27N3O5/c1-14(2)10-11-26-18-8-7-16(29-3)13-17(18)21(23(26)28)24-25-22(27)15-6-9-19(30-4)20(12-15)31-5/h6-9,12-14H,10-11H2,1-5H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,31,27,25,19,9,8,20,4,5,23,11,2,18,10,12,7,21,22,13,16,28,14,15,6,17,29,30,26,24/E:(1,2)/rA:31nCCCCCNCCCCCCCNNCOCCCCCCOCOCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s6s13;d28;s10;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O5 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45169 |
Area: | 675.119 |
Solvation: | -7.42629 |
Coulombic: | -59.0702 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 425.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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