200,000+ products from a single source!
sales@angenechem.com
141177-49-3 | 4,6(1H,5H)-Pyrimidinedione, dihydro-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-5-[(phenylamino)methyl]-2-thioxo-
CAS No: 141177-49-3 Catalog No: AG001FZW MDL No:
Product Description
Catalog Number:
AG001FZW
Chemical Name:
4,6(1H,5H)-Pyrimidinedione, dihydro-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-5-[(phenylamino)methyl]-2-thioxo-
CAS Number:
141177-49-3
Molecular Formula:
C31H25N5O3S2
Molecular Weight:
579.6919
IUPAC Name:
5-(anilinomethyl)-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C31H25N5O3S2/c37-28(35-24-15-7-9-17-26(24)41-27-18-10-8-16-25(27)35)20-33-36-30(39)23(19-32-21-11-3-1-4-12-21)29(38)34(31(36)40)22-13-5-2-6-14-22/h1-18,23,32-33H,19-20H2
InChI Key:
DHZHILYXKXSVTD-UHFFFAOYSA-N
SMILES:
O=C1C(CNc2ccccc2)C(=O)N(C(=S)N1NCC(=O)N1c2ccccc2Sc2c1cccc2)c1ccccc1
Properties
Complexity:
963
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.14g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
579.693g/mol
Monoisotopic Mass:
579.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.