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1195865-71-4 | 10H-Phenothiazine-10-carboxylic acid, 3-(1-oxopropyl)-, 3-(dimethylamino)propyl ester
CAS No: 1195865-71-4 Catalog No: AG000IZ9 MDL No:
Product Description
Catalog Number:
AG000IZ9
Chemical Name:
10H-Phenothiazine-10-carboxylic acid, 3-(1-oxopropyl)-, 3-(dimethylamino)propyl ester
CAS Number:
1195865-71-4
Molecular Formula:
C21H24N2O3S
Molecular Weight:
384.4919
IUPAC Name:
3-(dimethylamino)propyl 2-propanoylphenothiazine-10-carboxylate
InChI:
InChI=1S/C21H24N2O3S/c1-4-18(24)15-10-11-20-17(14-15)23(16-8-5-6-9-19(16)27-20)21(25)26-13-7-12-22(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3
InChI Key:
FHQVEAIDOFNZPL-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc2c(c1)Sc1c(N2C(=O)OCCCN(C)C)cccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.494g/mol
Monoisotopic Mass:
384.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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