Name: Name:4-(2-methoxyphenyl)-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Brand: Angene
SKU: AG019OJP
Rating: 90 (10 reviews)

4-(2-methoxyphenyl)-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

CAS No.:

885524-63-0

Catalog Number:

AG019OJP

Molecular Formula:

C18H18N2O2S2

Molecular Weight:

358.4777

Catalog Number:

AG019OJP

Chemical Name:

4-(2-methoxyphenyl)-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

CAS Number:

885524-63-0

Molecular Formula:

C18H18N2O2S2

Molecular Weight:

358.4777

MDL Number:

MFCD09355774

IUPAC Name:

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

InChI:

InChI=1S/C18H18N2O2S2/c1-10-7-8-11-14(9-10)24-16-15(11)17(21)20(18(23)19-16)12-5-3-4-6-13(12)22-2/h3-6,10H,7-9H2,1-2H3,(H,19,23)

InChI Key:

WABWJKVMABZZIJ-UHFFFAOYSA-N

SMILES:

COc1ccccc1n1c(S)nc2c(c1=O)c1CCC(Cc1s2)C

Complexity:

529

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:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4