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Chemical ID: 6211376
Chemical ID:
6211376
Name [?]:
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILES [?]:
CC1=C(C(NC(=O)N1)c2ccc(cc2)O)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H16ClN3O3/c1-10-15(17(24)21-13-4-2-3-12(19)9-13)16(22-18(25)20-10)11-5-7-14(23)8-6-11/h2-9,16,23H,1H3,(H,21,24)(H2,20,22,25)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,10,14,11,13,24,2,9,23,19,12,3,4,16,6,25,8,18,5,15,17,7/E:(5,6)(7,8)/rA:25cCCCCNCONCCCCCCOCONCCCCCCCl/rB:s1;d2;s3;s4;s5;d6;s2s6;s4;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.98766 |
Area: | 544.614 |
Solvation: | -3.62769 |
Coulombic: | -72.1403 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.791 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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