(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane

C25H26Cl2N2O — CID 92569496

IUPAC(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
SMILESCOc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)c1
InChIInChI=1S/C25H26Cl2N2O/c1-30-22-7-4-6-20(16-22)18-29-15-5-14-28(17-19-10-12-21(26)13-11-19)25(29)23-8-2-3-9-24(23)27/h2-4,6-13,16,25H,5,14-15,17-18H2,1H3/t25-/m0/s1
InChIKeySUCHSGZXWIRZGF-VWLOTQADSA-N
MW441.40 g/mol
LogP6.41
Rot. Bonds6

About (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane

(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane (PubChem CID 92569496) has the molecular formula C25H26Cl2N2O and a molecular weight of 441.40 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
PubChem CID92569496
Molecular FormulaC25H26Cl2N2O
Molecular Weight441.40 g/mol
Exact Mass440.14
IUPAC Name(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
SMILESCOc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)c1
InChIInChI=1S/C25H26Cl2N2O/c1-30-22-7-4-6-20(16-22)18-29-15-5-14-28(17-19-10-12-21(26)13-11-19)25(29)23-8-2-3-9-24(23)27/h2-4,6-13,16,25H,5,14-15,17-18H2,1H3/t25-/m0/s1
InChIKeySUCHSGZXWIRZGF-VWLOTQADSA-N
XLogP6.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.40
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
CID 20857150
2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 53003763
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane
CID 20968855
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
(2S)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569268
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
1-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane
CID 15994936
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane?
The IUPAC name of (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane (CID 92569496) is (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane is COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)c1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane?
The InChIKey is SUCHSGZXWIRZGF-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26Cl2N2O/c1-30-22-7-4-6-20(16-22)18-29-15-5-14-28(17-19-10-12-21(26)13-11-19)25(29)23-8-2-3-9-24(23)27/h2-4,6-13,16,25H,5,14-15,17-18H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane?
(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane has a molecular weight of 441.40 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane is sourced from PubChem (CID 92569496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).