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65290-91-7 | N,N-BIS(2-CHLOROETHYL)-2-METHOXY-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS No: 65290-91-7 Catalog No: AG00H5UE MDL No:
Product Description
Catalog Number:
AG00H5UE
Chemical Name:
N,N-BIS(2-CHLOROETHYL)-2-METHOXY-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS Number:
65290-91-7
Molecular Formula:
C18H18Cl2N2O2S
Molecular Weight:
397.3187
IUPAC Name:
N,N-bis(2-chloroethyl)-2-methoxyphenothiazine-10-carboxamide
InChI:
InChI=1S/C18H18Cl2N2O2S/c1-24-13-6-7-17-15(12-13)22(14-4-2-3-5-16(14)25-17)18(23)21(10-8-19)11-9-20/h2-7,12H,8-11H2,1H3
InChI Key:
DLAWEOIUCDBVFY-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)N1c2ccccc2Sc2c1cc(OC)cc2)CCCl
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.314g/mol
Monoisotopic Mass:
396.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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