methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate

Chemical Structure Depiction of
methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Available: 148 mg
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mg
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Compound characteristics

Compound ID: E975-1632
Compound Name: methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Molecular Weight: 392.45
Molecular Formula: C17 H16 N2 O5 S2
Smiles: COC(c1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O
Stereo: ACHIRAL
logP: 2.5573
logD: 1.9731
logSw: -3.0746
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 87.214
InChI Key: YXHNVYCFCBXEGW-UHFFFAOYSA-N
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