N-tert-butyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-tert-butyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-tert-butyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0547 |
| Compound Name: | N-tert-butyl-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 439.59 |
| Molecular Formula: | C20 H29 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2N(CC(NC(C)(C)C)=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9888 |
| logD: | 2.9887 |
| logSw: | -3.4913 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.316 |
| InChI Key: | OFNUUVCJHKBZEI-CQSZACIVSA-N |