N-[(4-methoxyphenyl)methyl]-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(4-methoxyphenyl)methyl]-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0883 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C24 H29 N3 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(NCc2ccc(cc2)OC)=O)C1=O)S(N1CCOCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4795 |
| logD: | 2.4795 |
| logSw: | -2.9443 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.307 |
| InChI Key: | KEWYJAGCQYMOAJ-QGZVFWFLSA-N |