Chemical ID: 4701078

CC1(OC(=O)C(=CNC(=O)c2cccc(c2)OC)C(=O)O1)C
Chemical ID:
4701078
Name [?]:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-3-methoxy-benzamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2cccc(c2)OC)C(=O)O1)C
InChi [?]:
InChI=1/C15H15NO6/c1-15(2)21-13(18)11(14(19)22-15)8-16-12(17)9-5-4-6-10(7-9)20-3/h4-8H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,22,18,13,12,14,16,7,11,15,6,9,4,19,2,8,10,5,20,17,3,21/E:(1,2)(13,14)(18,19)(21,22)/rA:22nCCOCOCCNCOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s6;d19;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15NO6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.89003
Area:498.516
Solvation:-4.57287
Coulombic:-65.8624
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.283
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.15
LogP (Chemaxon):1.14

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Descriptor Annotations

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