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64820-41-3 | Phenol, 4-(2,3-dihydro-2-phenyl-1,5-benzothiazepin-4-yl)-
CAS No: 64820-41-3 Catalog No: AG00H5YW MDL No:MFCD00208160
Product Description
Catalog Number:
AG00H5YW
Chemical Name:
Phenol, 4-(2,3-dihydro-2-phenyl-1,5-benzothiazepin-4-yl)-
CAS Number:
64820-41-3
Molecular Formula:
C21H17NOS
Molecular Weight:
331.4308
MDL Number:
MFCD00208160
IUPAC Name:
4-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
InChI:
InChI=1S/C21H17NOS/c23-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)24-20-9-5-4-8-18(20)22-19/h1-13,21,23H,14H2
InChI Key:
JXJGDFRTVLTJPC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=Nc2ccccc2SC(C1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.433g/mol
Monoisotopic Mass:
331.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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