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93963-98-5 | 2,10-DIPROPIONYL-10H-PHENOTHIAZINE
CAS No: 93963-98-5 Catalog No: AG005X4X MDL No:
Product Description
Catalog Number:
AG005X4X
Chemical Name:
2,10-DIPROPIONYL-10H-PHENOTHIAZINE
CAS Number:
93963-98-5
Molecular Formula:
C18H17NO2S
Molecular Weight:
311.3981
IUPAC Name:
1-(10-propanoylphenothiazin-2-yl)propan-1-one
InChI:
InChI=1S/C18H17NO2S/c1-3-15(20)12-9-10-17-14(11-12)19(18(21)4-2)13-7-5-6-8-16(13)22-17/h5-11H,3-4H2,1-2H3
InChI Key:
INBFDIYBWKUJRJ-UHFFFAOYSA-N
SMILES:
CCC(=O)N1c2cc(ccc2Sc2c1cccc2)C(=O)CC
EC Number:
300-844-2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.399g/mol
Monoisotopic Mass:
311.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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