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Chemical ID: 4726261
Chemical ID:
4726261
Name [?]:
diethyl 2-indolin-1-ylcarbonylpropanedioate
SMILES [?]:
CCOC(=O)C(C(=O)N1CCc2c1cccc2)C(=O)OCC
InChi [?]:
InChI=1/C16H19NO5/c1-3-21-15(19)13(16(20)22-4-2)14(18)17-10-9-11-7-5-6-8-12(11)17/h5-8,13H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,16,15,17,14,11,10,12,13,6,7,4,18,9,8,5,19,3,20/E:(1,2)(3,4)(15,16)(19,20)(21,22)/rA:22nCCOCOCCONCCCCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;s11;s9s12;d13;s14;d15;d12s16;s6;d18;s18;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11979 |
Area: | 498.58 |
Solvation: | -4.34471 |
Coulombic: | -50.6358 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 305.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.03 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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