Name: Name:10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene
Brand: Angene
SKU: AG01B1LC
Rating: 90 (10 reviews)

10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene

CAS No.:

1803599-87-2

Catalog Number:

AG01B1LC

Molecular Formula:

C16H10ClF3N2S

Molecular Weight:

354.7772

Catalog Number:

AG01B1LC

Chemical Name:

10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraene

CAS Number:

1803599-87-2

Molecular Formula:

C16H10ClF3N2S

Molecular Weight:

354.7772

MDL Number:

MFCD28064178

IUPAC Name:

10-chloro-12-[4-(trifluoromethyl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

InChI:

InChI=1S/C16H10ClF3N2S/c17-15-21-13(8-4-6-9(7-5-8)16(18,19)20)12-10-2-1-3-11(10)23-14(12)22-15/h4-7H,1-3H2

InChI Key:

VTAAOJXHMFOUOQ-UHFFFAOYSA-N

SMILES:

Clc1nc2sc3c(c2c(n1)c1ccc(cc1)C(F)(F)F)CCC3

Complexity:

442

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

354.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

354.775g/mol

Monoisotopic Mass:

354.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7