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53056-55-6 | N-(3-((ISOPROPYL)THIO)PROPYL)-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS No: 53056-55-6 Catalog No: AG006TRM MDL No:
Product Description
Catalog Number:
AG006TRM
Chemical Name:
N-(3-((ISOPROPYL)THIO)PROPYL)-10H-PHENOTHIAZINE-10-CARBOXAMIDE
CAS Number:
53056-55-6
Molecular Formula:
C19H22N2OS2
Molecular Weight:
358.5208
IUPAC Name:
N-(3-propan-2-ylsulfanylpropyl)phenothiazine-10-carboxamide
InChI:
InChI=1S/C19H22N2OS2/c1-14(2)23-13-7-12-20-19(22)21-15-8-3-5-10-17(15)24-18-11-6-4-9-16(18)21/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,20,22)
InChI Key:
IPVFNYOMQWISMS-UHFFFAOYSA-N
SMILES:
CC(SCCCNC(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.518g/mol
Monoisotopic Mass:
358.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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