Chemical ID: 7280194

CCOC(=O)c1cc(nc2c1c(=O)n(c(=O)n2C)C)c3ccccc3OC
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

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Descriptor Annotations

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