Name: Name:5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Brand: Angene
SKU: AG01A0V4
Rating: 90 (10 reviews)

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

CAS No.:

325700-59-2

Catalog Number:

AG01A0V4

Molecular Formula:

C18H18N2O2S2

Molecular Weight:

358.4777

Catalog Number:

AG01A0V4

Chemical Name:

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

CAS Number:

325700-59-2

Molecular Formula:

C18H18N2O2S2

Molecular Weight:

358.4777

MDL Number:

MFCD00484388

IUPAC Name:

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

InChI:

InChI=1S/C18H18N2O2S2/c21-10-11-23-18-19-16-15(13-8-4-5-9-14(13)24-16)17(22)20(18)12-6-2-1-3-7-12/h1-3,6-7,21H,4-5,8-11H2

InChI Key:

NVKRAMBEZLABNV-UHFFFAOYSA-N

SMILES:

OCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

Complexity:

507

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.474g/mol

Monoisotopic Mass:

358.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9