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Chemical ID: 5301810
Chemical ID:
5301810
Name [?]:
N-(1-benzyl-5-methoxy-2-oxo-indolin-3-yl)acetamide
SMILES [?]:
CC(=O)NC1c2cc(ccc2N(C1=O)Cc3ccccc3)OC
InChi [?]:
InChI=1/C18H18N2O3/c1-12(21)19-17-15-10-14(23-2)8-9-16(15)20(18(17)22)11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,19,18,20,17,21,9,10,7,15,2,16,8,6,11,5,13,4,12,3,14,22/E:(4,5)(6,7)/rA:23cCCONCCCCCCCNCOCCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;s15;s16;d17;s18;d19;d16s20;s8;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.77043 |
Area: | 504.706 |
Solvation: | -4.84721 |
Coulombic: | -44.1978 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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