(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane

C20H17Cl2NOS — CID 51357323

IUPAC(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane
SMILESClc1ccc([C@H]2C[C@H](c3cccs3)N(c3ccc(Cl)cc3)CO2)cc1
InChIInChI=1S/C20H17Cl2NOS/c21-15-5-3-14(4-6-15)19-12-18(20-2-1-11-25-20)23(13-24-19)17-9-7-16(22)8-10-17/h1-11,18-19H,12-13H2/t18-,19-/m1/s1
InChIKeySQHYCTSXFBMOBD-RTBURBONSA-N
MW390.34 g/mol
LogP6.72
Rot. Bonds3

About (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane

(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane (PubChem CID 51357323) has the molecular formula C20H17Cl2NOS and a molecular weight of 390.34 g/mol. Its IUPAC name is (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane.

Molecular Properties

Compound Name(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane
PubChem CID51357323
Molecular FormulaC20H17Cl2NOS
Molecular Weight390.34 g/mol
Exact Mass389.04
IUPAC Name(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane
SMILESClc1ccc([C@H]2C[C@H](c3cccs3)N(c3ccc(Cl)cc3)CO2)cc1
InChIInChI=1S/C20H17Cl2NOS/c21-15-5-3-14(4-6-15)19-12-18(20-2-1-11-25-20)23(13-24-19)17-9-7-16(22)8-10-17/h1-11,18-19H,12-13H2/t18-,19-/m1/s1
InChIKeySQHYCTSXFBMOBD-RTBURBONSA-N
XLogP6.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane?
The IUPAC name of (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane (CID 51357323) is (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane.
What is the SMILES notation for (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane?
The canonical SMILES for (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane is Clc1ccc([C@H]2C[C@H](c3cccs3)N(c3ccc(Cl)cc3)CO2)cc1.
What is the InChIKey of (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane?
The InChIKey is SQHYCTSXFBMOBD-RTBURBONSA-N. The full InChI is InChI=1S/C20H17Cl2NOS/c21-15-5-3-14(4-6-15)19-12-18(20-2-1-11-25-20)23(13-24-19)17-9-7-16(22)8-10-17/h1-11,18-19H,12-13H2/t18-,19-/m1/s1.
What are the key properties of (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane?
(4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane has a molecular weight of 390.34 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-3,6-bis(4-chlorophenyl)-4-thiophen-2-yl-1,3-oxazinane is sourced from PubChem (CID 51357323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).