Name: Name:Krca-0008
Brand: Angene
SKU: AG00ABKJ
Rating: 90 (10 reviews)

Krca-0008

CAS No.:

1472795-20-2

Catalog Number:

AG00ABKJ

Molecular Formula:

C30H37ClN8O4

Molecular Weight:

609.1190

Catalog Number:

AG00ABKJ

Chemical Name:

Krca-0008

CAS Number:

1472795-20-2

Molecular Formula:

C30H37ClN8O4

Molecular Weight:

609.1190

MDL Number:

MFCD28133395

IUPAC Name:

1-[4-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

InChI:

InChI=1S/C30H37ClN8O4/c1-20(40)36-9-13-38(14-10-36)22-5-7-25(27(17-22)42-3)33-29-24(31)19-32-30(35-29)34-26-8-6-23(18-28(26)43-4)39-15-11-37(12-16-39)21(2)41/h5-8,17-19H,9-16H2,1-4H3,(H2,32,33,34,35)

InChI Key:

TXDIRJCYNAWBOS-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1Nc1ncc(c(n1)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C)Cl)N1CCN(CC1)C(=O)C

Complexity:

919

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

608.263g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

609.128g/mol

Monoisotopic Mass:

608.263g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3