AC1LO1LG

2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid

Also Known As: Oprea1_460949|AJ-292/15301005|2-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)acetic acid|2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]acetic acid|{[5-cyano-3,3-dimethyl-8-(4-morpholinyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetic acid|{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetic acid

Molecular Formula	C17H21N3O4S
Molecular Weight	363.12527 g/mol
LogP	1.81788
Topological Polar Surface Area	95.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	363.12527
Monoisotopic Mass	363.12527
Heavy Atoms	25
Complexity	723.5836

Chemical Identifiers

CAS Number	204775-47-3
SMILES	CC1(CC2=C(CO1)C(=NC(=C2C#N)SCC(=O)O)N3CCOCC3)C