Chemical ID: 7449332

CCOc1cccc(=O)c2c1c(n(c2C)c3cccc(c3)N(=O)=O)C
Chemical ID:
7449332
Name [?]:
6-ethoxy-8,10-dimethyl-9-(3-nitrophenyl)-9-azabicyclo[5.3.0]deca-3,5,7,10-tetraen-2-one
SMILES [?]:
CCOc1cccc(=O)c2c1c(n(c2C)c3cccc(c3)N(=O)=O)C
InChi [?]:
InChI=1/C19H18N2O4/c1-4-25-17-10-6-9-16(22)18-12(2)20(13(3)19(17)18)14-7-5-8-15(11-14)21(23)24/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,25,2,18,6,17,19,7,5,21,14,12,16,20,8,4,10,11,13,22,9,23,24,3/E:(23,24)/CRV:21.5/rA:25nCCOCCCCCOCCCNCCCCCCCCNOOC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s4s10;d11;s12;d10s13;s14;s13;s16;d17;s18;d19;d16s20;s20;d22;d22;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.30001
Area:533.079
Solvation:-8.02697
Coulombic:-33.2674
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.357
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.63
LogP (Chemaxon):3.33

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