V3J

(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

Created:	2020-06-19
Last modified:	2020-07-01

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1 entries where V3J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	10

2D diagram of V3J

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Chemical Component Summary
Name	(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
Systematic Name (OpenEye OEToolkits)	1,2,3-benzothiadiazol-5-yl(morpholin-4-yl)methanone
Formula	C₁₁ H₁₁ N₃ O₂ S
Molecular Weight	249.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3N(C(c2ccc1c(nns1)c2)=O)CCOC3
SMILES	CACTVS	3.385	O=C(N1CCOCC1)c2ccc3snnc3c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=O)N3CCOCC3)nns2
Canonical SMILES	CACTVS	3.385	O=C(N1CCOCC1)c2ccc3snnc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=O)N3CCOCC3)nns2
InChI	InChI	1.03	InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2
InChIKey	InChI	1.03	NDUBYKRNILHJSF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	738376
ChEMBL	CHEMBL1341115

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