200,000+ products from a single source!
sales@angenechem.com
85725-93-5 | 6-PHENYL-6,7-DIHYDROPYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-7-OL
CAS No: 85725-93-5 Catalog No: AG008GUC MDL No:
Product Description
Catalog Number:
AG008GUC
Chemical Name:
6-PHENYL-6,7-DIHYDROPYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-7-OL
CAS Number:
85725-93-5
Molecular Formula:
C18H15NOS
Molecular Weight:
293.3828
IUPAC Name:
6-phenyl-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
InChI:
InChI=1S/C18H15NOS/c20-17-15-10-6-12-19(15)14-9-4-5-11-16(14)21-18(17)13-7-2-1-3-8-13/h1-12,17-18,20H
InChI Key:
GTFDCJZEPWQLGS-UHFFFAOYSA-N
SMILES:
OC1C(Sc2c(n3c1ccc3)cccc2)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.384g/mol
Monoisotopic Mass:
293.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.