Chemical ID: 4557654

CNC(=O)C1c2cc(c(cc2CCCN1)OC)OC
Chemical ID:
4557654
Name [?]:
9,10-dimethoxy-N-methyl-3-azabicyclo[5.4.0]undeca-8,10,12-triene-2-carboxamide
SMILES [?]:
CNC(=O)C1c2cc(c(cc2CCCN1)OC)OC
InChi [?]:
InChI=1/C14H20N2O3/c1-15-14(17)13-10-8-12(19-3)11(18-2)7-9(10)5-4-6-16-13/h7-8,13,16H,4-6H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,19,13,12,14,10,7,11,6,9,8,5,3,2,15,4,16,18/rA:19cCNCOCCCCCCCCCCNOCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s5s14;s9;s16;s8;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.18938
Area:432.365
Solvation:-5.61975
Coulombic:-43.6381
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.32
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.34
LogP (Chemaxon):0.56

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Descriptor Annotations

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