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Chemical ID: 5820452
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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