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65240-96-2 | N,N-bis(2-chloroethyl)phenothiazine-10-carboxamide
CAS No: 65240-96-2 Catalog No: AG00F7H3 MDL No:
Product Description
Catalog Number:
AG00F7H3
Chemical Name:
N,N-bis(2-chloroethyl)phenothiazine-10-carboxamide
CAS Number:
65240-96-2
Molecular Formula:
C17H16Cl2N2OS
Molecular Weight:
367.2927
IUPAC Name:
N,N-bis(2-chloroethyl)phenothiazine-10-carboxamide
InChI:
InChI=1S/C17H16Cl2N2OS/c18-9-11-20(12-10-19)17(22)21-13-5-1-3-7-15(13)23-16-8-4-2-6-14(16)21/h1-8H,9-12H2
InChI Key:
DAOQXOMAPLHZKD-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)N1c2ccccc2Sc2c1cccc2)CCCl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.288g/mol
Monoisotopic Mass:
366.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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