2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine

C19H14ClNOS — CID 3341519

IUPAC2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
SMILESClc1ccccc1C1CC(c2ccco2)=Nc2ccccc2S1
InChIInChI=1S/C19H14ClNOS/c20-14-7-2-1-6-13(14)19-12-16(17-9-5-11-22-17)21-15-8-3-4-10-18(15)23-19/h1-11,19H,12H2
InChIKeyJARBOGZDNLAGRE-UHFFFAOYSA-N
MW339.85 g/mol
LogP6.29
Rot. Bonds2

About 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine

2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine (PubChem CID 3341519) has the molecular formula C19H14ClNOS and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
PubChem CID3341519
Molecular FormulaC19H14ClNOS
Molecular Weight339.85 g/mol
Exact Mass339.05
IUPAC Name2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine
SMILESClc1ccccc1C1CC(c2ccco2)=Nc2ccccc2S1
InChIInChI=1S/C19H14ClNOS/c20-14-7-2-1-6-13(14)19-12-16(17-9-5-11-22-17)21-15-8-3-4-10-18(15)23-19/h1-11,19H,12H2
InChIKeyJARBOGZDNLAGRE-UHFFFAOYSA-N
XLogP6.29
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
The IUPAC name of 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine (CID 3341519) is 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine is Clc1ccccc1C1CC(c2ccco2)=Nc2ccccc2S1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
The InChIKey is JARBOGZDNLAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNOS/c20-14-7-2-1-6-13(14)19-12-16(17-9-5-11-22-17)21-15-8-3-4-10-18(15)23-19/h1-11,19H,12H2.
What are the key properties of 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine?
2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine has a molecular weight of 339.85 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepine is sourced from PubChem (CID 3341519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).