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Chemical ID: 4557654
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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