Name: Name:5-(chloromethyl)-4-(2-oxopropyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Brand: Angene
SKU: AG00ICIG
Rating: 90 (10 reviews)

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

CAS No.:

743445-03-6

Catalog Number:

AG00ICIG

Molecular Formula:

C14H15ClN2O2S

Molecular Weight:

310.7991

Catalog Number:

AG00ICIG

Chemical Name:

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

CAS Number:

743445-03-6

Molecular Formula:

C14H15ClN2O2S

Molecular Weight:

310.7991

MDL Number:

MFCD05263263

IUPAC Name:

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

InChI:

InChI=1S/C14H15ClN2O2S/c1-8(18)7-17-11(6-15)16-13-12(14(17)19)9-4-2-3-5-10(9)20-13/h2-7H2,1H3

InChI Key:

IBDXLMKQAFNDIH-UHFFFAOYSA-N

SMILES:

ClCc1nc2sc3c(c2c(=O)n1CC(=O)C)CCCC3

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.796g/mol

Monoisotopic Mass:

310.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5