N-[(furan-2-yl)methyl]-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(furan-2-yl)methyl]-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
Compound ID: | G640-0389 |
Compound Name: | N-[(furan-2-yl)methyl]-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
Molecular Weight: | 465.55 |
Molecular Formula: | C20 H23 N3 O6 S2 |
Smiles: | C1CSc2ccc(cc2N(CC(NCc2ccco2)=O)C1=O)S(N1CCOCC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9965 |
logD: | 1.9965 |
logSw: | -2.7314 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.79 |
InChI Key: | XITNDMRQBPGURL-UHFFFAOYSA-N |