Chemical ID: 6176806

CC1=C(C(NC(=O)N1Cc2ccccc2)c3ccccc3)C(=O)OC
Chemical ID:
6176806
Name [?]:
methyl 1-benzyl-6-methyl-2-oxo-4-phenyl-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1Cc2ccccc2)c3ccccc3)C(=O)OC
InChi [?]:
InChI=1/C20H20N2O3/c1-14-17(19(23)25-2)18(16-11-7-4-8-12-16)21-20(24)22(14)13-15-9-5-3-6-10-15/h3-12,18H,13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,13,19,12,14,18,20,11,15,17,21,9,2,10,16,3,4,22,6,5,8,23,7,24/E:(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCNCONCCCCCCCCCCCCCCOOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s18;d19;d16s20;s3;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.2155
Area:509.815
Solvation:-2.52988
Coulombic:-52.3783
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.77
LogP (Chemaxon):2.25

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Descriptor Annotations

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