Name: Name:3-chloro-5-(pyrazin-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
Brand: Angene
SKU: AG01A7XW
Rating: 90 (10 reviews)

3-chloro-5-(pyrazin-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

CAS No.:

1080821-72-2

Catalog Number:

AG01A7XW

Molecular Formula:

C14H11ClN4S

Molecular Weight:

302.7819

Catalog Number:

AG01A7XW

Chemical Name:

3-chloro-5-(pyrazin-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

CAS Number:

1080821-72-2

Molecular Formula:

C14H11ClN4S

Molecular Weight:

302.7819

MDL Number:

MFCD13805864

IUPAC Name:

4-chloro-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

InChI:

InChI=1S/C14H11ClN4S/c15-12-11-8-3-1-2-4-10(8)20-14(11)19-13(18-12)9-7-16-5-6-17-9/h5-7H,1-4H2

InChI Key:

GEPPWBCPYIBEHQ-UHFFFAOYSA-N

SMILES:

Clc1nc(nc2c1c1CCCCc1s2)c1cnccn1

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.78g/mol

Monoisotopic Mass:

302.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3