Name: Name:5-(3-hydroxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Brand: Angene
SKU: AG01BCYT
Rating: 90 (10 reviews)

5-(3-hydroxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

CAS No.:

357618-26-9

Catalog Number:

AG01BCYT

Molecular Formula:

C16H14N2O2S

Molecular Weight:

298.3596

Catalog Number:

AG01BCYT

Chemical Name:

5-(3-hydroxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

CAS Number:

357618-26-9

Molecular Formula:

C16H14N2O2S

Molecular Weight:

298.3596

MDL Number:

MFCD02212163

IUPAC Name:

2-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C16H14N2O2S/c19-10-5-3-4-9(8-10)14-17-15(20)13-11-6-1-2-7-12(11)21-16(13)18-14/h3-5,8,19H,1-2,6-7H2,(H,17,18,20)

InChI Key:

YEBWEMIJOWUBEM-UHFFFAOYSA-N

SMILES:

Oc1cccc(c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

Complexity:

467

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.36g/mol

Monoisotopic Mass:

298.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2