Chemical ID: 6211376

CC1=C(C(NC(=O)N1)c2ccc(cc2)O)C(=O)Nc3cccc(c3)Cl
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

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