Chemical ID: 5820452

CCCC1=C(C(NC(=O)N1C)c2cccc(c2Cl)Cl)C(=O)OCC
Chemical ID:
5820452
Name [?]:
ethyl 4-(2,3-dichlorophenyl)-1-methyl-2-oxo-6-propyl-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCCC1=C(C(NC(=O)N1C)c2cccc(c2Cl)Cl)C(=O)OCC
InChi [?]:
InChI=1/C17H20Cl2N2O3/c1-4-7-12-13(16(22)24-5-2)15(20-17(23)21(12)3)10-8-6-9-11(18)14(10)19/h6,8-9,15H,4-5,7H2,1-3H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,11,2,23,14,3,13,15,12,16,4,5,17,6,20,8,19,18,7,10,21,9,22/rA:24cCCCCCCNCONCCCCCCCClClCOOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s4s8;s10;s6;s12;d13;s14;d15;d12s16;s17;s16;s5;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20Cl2N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.9964
Area:531.752
Solvation:-2.29743
Coulombic:-51.4497
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.258
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.54
LogP (Chemaxon):2.71

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