Name: Name:Benzyl 4-(4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Brand: Angene
SKU: AG01F3BD
Rating: 90 (10 reviews)

Benzyl 4-(4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

CAS No.:

518350-24-8

Catalog Number:

AG01F3BD

Molecular Formula:

C19H18N2O3S

Molecular Weight:

354.4228

Catalog Number:

AG01F3BD

Chemical Name:

Benzyl 4-(4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

CAS Number:

518350-24-8

Molecular Formula:

C19H18N2O3S

Molecular Weight:

354.4228

MDL Number:

MFCD03461597

IUPAC Name:

benzyl 4-(4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

InChI:

InChI=1S/C19H18N2O3S/c1-12-16(18(23)24-11-13-5-3-2-4-6-13)17(21-19(25)20-12)14-7-9-15(22)10-8-14/h2-10,17,22H,11H2,1H3,(H2,20,21,25)

InChI Key:

HEABQBNTRZDIKX-UHFFFAOYSA-N

SMILES:

S=C1NC(=C(C(N1)c1ccc(cc1)O)C(=O)OCc1ccccc1)C

Complexity:

535

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

354.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

354.424g/mol

Monoisotopic Mass:

354.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8