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141177-59-5 | 4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-
CAS No: 141177-59-5 Catalog No: AG001G0V MDL No:
Product Description
Catalog Number:
AG001G0V
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-
CAS Number:
141177-59-5
Molecular Formula:
C32H24N4O5S2
Molecular Weight:
608.6868
IUPAC Name:
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C32H24N4O5S2/c1-41-26-18-20(15-16-25(26)37)17-22-30(39)34(21-9-3-2-4-10-21)32(42)36(31(22)40)33-19-29(38)35-23-11-5-7-13-27(23)43-28-14-8-6-12-24(28)35/h2-18,33,37H,19H2,1H3
InChI Key:
FNCZSKPTOOJGLE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C=C1C(=O)N(NCC(=O)N2c3ccccc3Sc3c2cccc3)C(=S)N(C1=O)c1ccccc1
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.119g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
608.687g/mol
Monoisotopic Mass:
608.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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