Chemical ID: 5390899

CC1=C(C(NC(=S)N1)c2cccc3c2cccc3)C(=O)OCCOC
Chemical ID:
5390899
Name [?]:
2-methoxyethyl 4-methyl-6-(1-naphthyl)-2-thioxo-3,6-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=S)N1)c2cccc3c2cccc3)C(=O)OCCOC
InChi [?]:
InChI=1/C19H20N2O3S/c1-12-16(18(22)24-11-10-23-2)17(21-19(25)20-12)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,17H,10-11H2,1-2H3,(H2,20,21,25)
InChi Info:
AuxInfo=1/1/N:1,25,17,16,11,18,12,15,10,23,22,2,13,14,9,3,4,19,6,8,5,20,24,21,7/rA:25cCCCCNCSNCCCCCCCCCCCOOCCOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s4;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s3;d19;s19;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.23207
Area:533.931
Solvation:-4.11621
Coulombic:-52.3956
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.44
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.14
LogP (Chemaxon):1.79

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