Chemical ID: 4266104

CC1=C(C(NC(=O)N1C)c2ccccc2)C(=O)OC(C)C
Chemical ID:
4266104
Name [?]:
isopropyl 1,6-dimethyl-2-oxo-4-phenyl-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccccc2)C(=O)OC(C)C
InChi [?]:
InChI=1/C16H20N2O3/c1-10(2)21-15(19)13-11(3)18(4)16(20)17-14(13)12-8-6-5-7-9-12/h5-10,14H,1-4H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,9,13,12,14,11,15,19,2,10,3,4,16,6,5,8,17,7,18/E:(1,2)(6,7)(8,9)/rA:21cCCCCNCONCCCCCCCCOOCCC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s3;d16;s16;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.39082
Area:458.619
Solvation:-2.07465
Coulombic:-50.973
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.94
LogP (Chemaxon):1.22

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