Name: Name:3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-diMethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyriMidin-5-yl 4-Methylbenzenesulfonate
Brand: Angene
SKU: AG00GTZK
Rating: 90 (10 reviews)

3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-diMethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyriMidin-5-yl 4-Methylbenzenesulfonate

CAS No.:

871700-32-2

Catalog Number:

AG00GTZK

Molecular Formula:

C25H21FIN3O6S

Molecular Weight:

637.4186

Catalog Number:

AG00GTZK

Chemical Name:

3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-diMethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyriMidin-5-yl 4-Methylbenzenesulfonate

CAS Number:

871700-32-2

Molecular Formula:

C25H21FIN3O6S

Molecular Weight:

637.4186

MDL Number:

MFCD18207186

IUPAC Name:

[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate

InChI:

InChI=1S/C25H21FIN3O6S/c1-13-4-9-17(10-5-13)37(34,35)36-21-14(2)23(31)28(3)22-20(21)24(32)29(16-7-8-16)25(33)30(22)19-11-6-15(27)12-18(19)26/h4-6,9-12,16H,7-8H2,1-3H3

InChI Key:

RCCOZJPSLZNDFV-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)Oc1c(C)c(=O)n(c2c1c(=O)n(C1CC1)c(=O)n2c1ccc(cc1F)I)C

Complexity:

1190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

637.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

637.421g/mol

Monoisotopic Mass:

637.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6