N-(3,4-dimethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0600 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-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(Nc2ccc(c(c2)OC)OC)=O)C1=O)S(N1CCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1133 |
| logD: | 3.1132 |
| logSw: | -3.5828 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.159 |
| InChI Key: | UBILTSXDIXJFCA-MRXNPFEDSA-N |