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135003-30-4 | 10H-Phenothiazine-2-carboxamide,10-[(1R)-1-methyl-2-(1-pyrrolidinyl)ethyl]-N-propyl-
CAS No: 135003-30-4 Catalog No: AG007ZQV MDL No:
Product Description
Catalog Number:
AG007ZQV
Chemical Name:
10H-Phenothiazine-2-carboxamide,10-[(1R)-1-methyl-2-(1-pyrrolidinyl)ethyl]-N-propyl-
CAS Number:
135003-30-4
Molecular Formula:
C23H29N3OS
Molecular Weight:
395.5609
IUPAC Name:
N-propyl-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
InChI:
InChI=1S/C23H29N3OS/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22/h4-5,8-11,15,17H,3,6-7,12-14,16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChI Key:
KXMAIWXPZGQNCR-QGZVFWFLSA-N
SMILES:
CCCNC(=O)c1ccc2c(c1)N([C@@H](CN1CCCC1)C)c1c(S2)cccc1
UNII:
5Q36UVB8YA
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
395.203g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.565g/mol
Monoisotopic Mass:
395.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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