N-[(oxolan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-[(oxolan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0120 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-[4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C20 H27 N3 O5 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(NCC1CCCO1)=O)C(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3603 |
| logD: | 1.3603 |
| logSw: | -2.5161 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.153 |
| InChI Key: | AJEZNACGGKSNBE-OAHLLOKOSA-N |