5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G640-0105 |
| Compound Name: | 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-7-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCc3ccccc13)=O)C(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0442 |
| logD: | 3.0442 |
| logSw: | -3.6061 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.45 |
| InChI Key: | RPOVUXFXFFLDON-UHFFFAOYSA-N |