1-(7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)prop-2-en-1-one
• CAS No.: 145903-18-0
• Molecular Formula: C₁₃H₁₅NO₂S
• Molecular Weight: 249.334
• ChEMBL ID: CHEMBL3928727
• DSSTox Substance ID: DTXSID201159628
• Pharos Ligand ID: 3ML9S5U2TV9K

Synonyms:145903-18-0;1-(7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)prop-2-en-1-one;1-(7-Methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)prop-2-en-1-one;SCHEMBL3427146;CHEMBL3928727;TQR0299;SBEQDBRASWIIOR-UHFFFAOYSA-N;DTXSID201159628;4-acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine;1-(2,3-Dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)-2-propen-1-one

Chemical Property of 1-(7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)prop-2-en-1-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 295

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• Canonical SMILES: COC1=CC2=C(C=C1)SCCN(C2)C(=O)C=C

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