200,000+ products from a single source!
sales@angenechem.com
250640-50-7 | Phenol, 2-[2,3-dihydro-2-(4-methylphenyl)-1,5-benzothiazepin-4-yl]-
CAS No: 250640-50-7 Catalog No: AG002QC2 MDL No:MFCD00208169
Product Description
Catalog Number:
AG002QC2
Chemical Name:
Phenol, 2-[2,3-dihydro-2-(4-methylphenyl)-1,5-benzothiazepin-4-yl]-
CAS Number:
250640-50-7
Molecular Formula:
C22H19NOS
Molecular Weight:
345.4574
MDL Number:
MFCD00208169
IUPAC Name:
2-[2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
InChI:
InChI=1S/C22H19NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,22,24H,14H2,1H3
InChI Key:
JCASSNKUSMVRLK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1Sc2ccccc2N=C(C1)c1ccccc1O
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.46g/mol
Monoisotopic Mass:
345.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Derivatives of 4-(2-hydroxylphenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine. | Acta crystallographica. Section C, Crystal structure communications 20030601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.