N-[(furan-2-yl)methyl]-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(furan-2-yl)methyl]-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-1103 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C23 H29 N3 O5 S2 |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(NCc1ccco1)=O)C(CC(C)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6918 |
| logD: | 3.6918 |
| logSw: | -3.9794 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.881 |
| InChI Key: | VTWBQVHZTVJQEC-QGZVFWFLSA-N |