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Home > Pyridines > 151227-26-8
151227-26-8 | [1]Benzothieno[2,3-c]pyridine-3-carboxamide, 1,2,3,4-tetrahydro-N-(2-hydroxycyclohexyl)-
CAS No: 151227-26-8 Catalog No: AG001N6F MDL No:
Product Description
Catalog Number:
AG001N6F
Chemical Name:
[1]Benzothieno[2,3-c]pyridine-3-carboxamide, 1,2,3,4-tetrahydro-N-(2-hydroxycyclohexyl)-
CAS Number:
151227-26-8
Molecular Formula:
C18H22N2O2S
Molecular Weight:
330.4445
IUPAC Name:
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
InChI:
InChI=1S/C18H22N2O2S/c21-15-7-3-2-6-13(15)20-18(22)14-9-12-11-5-1-4-8-16(11)23-17(12)10-19-14/h1,4-5,8,13-15,19,21H,2-3,6-7,9-10H2,(H,20,22)
InChI Key:
SVRBBAYDEIWDKC-UHFFFAOYSA-N
SMILES:
O=C(C1NCc2c(C1)c1ccccc1s2)NC1CCCCC1O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.446g/mol
Monoisotopic Mass:
330.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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