TU7

(2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone

Created:	2020-03-31
Last modified:	2020-08-05

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1 entries where TU7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	12

2D diagram of TU7

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Chemical Component Summary
Name	(2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone
Systematic Name (OpenEye OEToolkits)	(2,4-dichlorophenyl)-[(2~{S})-2-phenylmorpholin-4-yl]methanone
Formula	C₁₇ H₁₅ Cl₂ N O₂
Molecular Weight	336.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccc(cc1Cl)Cl)(N3CC(c2ccccc2)OCC3)=O
SMILES	CACTVS	3.385	Clc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(c(Cl)c1)C(=O)N2CCO[C@H](C2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl
InChI	InChI	1.03	InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1
InChIKey	InChI	1.03	GMCUGOLAHOHCSS-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	25281297

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