Chemical ID: 7280175

CCOC(=O)c1cc(nc2c1c(no2)C)c3ccc(cc3Cl)Cl
Chemical ID:
7280175
Name [?]:
ethyl 3-(2,4-dichlorophenyl)-7-methyl-9-oxa-2,8-diazabicyclo[4.3.0]nona-1,3,5,7-tetraene-5-carboxylate
SMILES [?]:
CCOC(=O)c1cc(nc2c1c(no2)C)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H12Cl2N2O3/c1-3-22-16(21)11-7-13(10-5-4-9(17)6-12(10)18)19-15-14(11)8(2)20-23-15/h4-7H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,18,17,20,7,12,19,16,6,21,8,11,10,4,23,22,9,13,5,3,14/rA:23nCCOCOCCCNCCCNOCCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d12;s10s13;s12;s8;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl2N2O3
All Atoms:35
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2239
Area:527.882
Solvation:-2.9732
Coulombic:-30.4404
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.184
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.35
LogP (Chemaxon):4.24

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