Name: Name:(S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one
Brand: Angene
SKU: AG003AVE
Rating: 90 (10 reviews)

(S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one

CAS No.:

1313363-54-0

Catalog Number:

AG003AVE

Molecular Formula:

C38H47ClN4O4

Molecular Weight:

659.2572

Catalog Number:

AG003AVE

Chemical Name:

(S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one

CAS Number:

1313363-54-0

Molecular Formula:

C38H47ClN4O4

Molecular Weight:

659.2572

MDL Number:

MFCD28144684

IUPAC Name:

(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

InChI:

InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26?,31?,38-/m0/s1

InChI Key:

CLRSLRWKONPSRQ-CPOWQTMSSA-N

SMILES:

COc1cc2CC(=O)N([C@H](c2cc1OC(C)C)c1ccc(cc1)Cl)c1ccc(cc1)N(C[C@@H]1CC[C@H](CC1)N1CCN(C(=O)C1)C)C

UNII:

4UF6MSL0ZH

Complexity:

1040

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

658.329g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

659.268g/mol

Monoisotopic Mass:

658.329g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.5