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Chemical ID: 7280194
Chemical ID:
7280194
Name [?]:
ethyl 9-(2-methoxyphenyl)-2,4-dimethyl-3,5-dioxo-2,4,10-triazabicyclo[4.4.0]deca-6,8,10-triene-7-carboxylate
SMILES [?]:
CCOC(=O)c1cc(nc2c1c(=O)n(c(=O)n2C)C)c3ccccc3OC
InChi [?]:
InChI=1/C19H19N3O5/c1-5-27-18(24)12-10-13(11-8-6-7-9-14(11)26-4)20-16-15(12)17(23)22(3)19(25)21(16)2/h6-10H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,27,2,22,23,21,24,7,20,6,8,25,11,10,12,4,15,9,17,14,13,5,16,26,3/rA:27nCCOCOCCCNCCCONCONCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;d15;s10s15;s17;s14;s8;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O5 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91588 |
Area: | 548.707 |
Solvation: | -4.80179 |
Coulombic: | -65.0467 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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