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102753-23-1 | 10H-Phenothiazine, 10-[2-(4-butyl-1-piperazinyl)propyl]-
CAS No: 102753-23-1 Catalog No: AG0008AJ MDL No:
Product Description
Catalog Number:
AG0008AJ
Chemical Name:
10H-Phenothiazine, 10-[2-(4-butyl-1-piperazinyl)propyl]-
CAS Number:
102753-23-1
Molecular Formula:
C23H31N3S
Molecular Weight:
381.5773
IUPAC Name:
10-[2-(4-butylpiperazin-1-yl)propyl]phenothiazine
InChI:
InChI=1S/C23H31N3S/c1-3-4-13-24-14-16-25(17-15-24)19(2)18-26-20-9-5-7-11-22(20)27-23-12-8-6-10-21(23)26/h5-12,19H,3-4,13-18H2,1-2H3
InChI Key:
VPMKEHWHZVJFQX-UHFFFAOYSA-N
SMILES:
CCCCN1CCN(CC1)C(CN1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.224g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.582g/mol
Monoisotopic Mass:
381.224g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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