7-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-1241 |
| Compound Name: | 7-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C21 H22 N2 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(N1CCc2ccccc12)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5088 |
| logD: | 2.5086 |
| logSw: | -2.9831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.578 |
| InChI Key: | XFLOYCSMLOBJIN-CQSZACIVSA-N |