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53056-57-8 | N-(2-(PENTYLTHIO)ETHYL)-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS No: 53056-57-8 Catalog No: AG006TRL MDL No:
Product Description
Catalog Number:
AG006TRL
Chemical Name:
N-(2-(PENTYLTHIO)ETHYL)-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS Number:
53056-57-8
Molecular Formula:
C20H24N2OS2
Molecular Weight:
372.5474
IUPAC Name:
N-(2-pentylsulfanylethyl)phenothiazine-10-carboxamide
InChI:
InChI=1S/C20H24N2OS2/c1-2-3-8-14-24-15-13-21-20(23)22-16-9-4-6-11-18(16)25-19-12-7-5-10-17(19)22/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,21,23)
InChI Key:
WNNRYMPLMVRUGJ-UHFFFAOYSA-N
SMILES:
CCCCCSCCNC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.545g/mol
Monoisotopic Mass:
372.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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