7-(3-phenylpyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(3-phenylpyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(3-phenylpyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0121 |
| Compound Name: | 7-(3-phenylpyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C19 H20 N2 O3 S2 |
| Smiles: | C1CN(CC1c1ccccc1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.302 |
| logD: | 3.3017 |
| logSw: | -3.5718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.129 |
| InChI Key: | HBEXVFXGNNYDQT-OAHLLOKOSA-N |