Chemical ID: 4703323

CN1C(CC(O1)COC(=O)Nc2ccccc2)c3ccccc3
Chemical ID:
4703323
Name [?]:
(2-methyl-3-phenyl-isoxazolidin-5-yl)methyl anilinoformate
SMILES [?]:
CN1C(CC(O1)COC(=O)Nc2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C18H20N2O3/c1-20-17(14-8-4-2-5-9-14)12-16(23-20)13-22-18(21)19-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,15,20,22,14,16,19,23,13,17,4,7,18,12,5,3,9,11,2,10,8,6/E:(4,5)(6,7)(8,9)(10,11)/rA:23cCNCCCOCOCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:9.45967
Area:539.03
Solvation:-4.01609
Coulombic:-40.1436
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.363
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.01
LogP (Chemaxon):3.59

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Descriptor Annotations

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