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89907-40-4 | 10H-Phenothiazinol, 10-(3-piperidinylmethyl)-
CAS No: 89907-40-4 Catalog No: AG006OVE MDL No:
Product Description
Catalog Number:
AG006OVE
Chemical Name:
10H-Phenothiazinol, 10-(3-piperidinylmethyl)-
CAS Number:
89907-40-4
Molecular Formula:
C18H20N2OS
Molecular Weight:
312.4292
IUPAC Name:
10-(piperidin-3-ylmethyl)phenothiazin-1-ol
InChI:
InChI=1S/C18H20N2OS/c21-15-7-3-9-17-18(15)20(12-13-5-4-10-19-11-13)14-6-1-2-8-16(14)22-17/h1-3,6-9,13,19,21H,4-5,10-12H2
InChI Key:
CUHYRYQKHKZJMY-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1N(CC1CCCNC1)c1c(S2)cccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.431g/mol
Monoisotopic Mass:
312.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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