Name: Name:4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
Brand: Angene
SKU: AG019OIR
Rating: 90 (10 reviews)

4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one

CAS No.:

885524-55-0

Catalog Number:

AG019OIR

Molecular Formula:

C18H17ClN2OS2

Molecular Weight:

376.9234

Catalog Number:

AG019OIR

Chemical Name:

4-(3-chloro-4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one

CAS Number:

885524-55-0

Molecular Formula:

C18H17ClN2OS2

Molecular Weight:

376.9234

MDL Number:

MFCD08506043

IUPAC Name:

4-(3-chloro-4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one

InChI:

InChI=1S/C18H17ClN2OS2/c1-10-7-8-11(9-13(10)19)21-17(22)15-12-5-3-2-4-6-14(12)24-16(15)20-18(21)23/h7-9H,2-6H2,1H3,(H,20,23)

InChI Key:

SIUVPXCXVMTVMP-UHFFFAOYSA-N

SMILES:

Clc1cc(ccc1C)n1c(S)nc2c(c1=O)c1CCCCCc1s2

Complexity:

531

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

376.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

376.917g/mol

Monoisotopic Mass:

376.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6