Chemical ID: 5628832

CC1=C(C(NC(=O)N1Cc2ccccc2)c3ccccc3Cl)C(=O)C
Chemical ID:
5628832
Name [?]:
5-acetyl-1-benzyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2-one
SMILES [?]:
CC1=C(C(NC(=O)N1Cc2ccccc2)c3ccccc3Cl)C(=O)C
InChi [?]:
InChI=1/C20H19ClN2O2/c1-13-18(14(2)24)19(16-10-6-7-11-17(16)21)22-20(25)23(13)12-15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,13,12,14,18,19,11,15,17,20,9,2,23,10,16,21,3,4,6,22,5,8,24,7/E:(4,5)(8,9)/rA:25cCCCCNCONCCCCCCCCCCCCCClCOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s18;d19;d16s20;s21;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.2644
Area:520.92
Solvation:-2.75856
Coulombic:-40.0872
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.83
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):3.28

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