3-methyl-7-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
3-methyl-7-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
3-methyl-7-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1725 |
| Compound Name: | 3-methyl-7-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C16 H22 N2 O3 S2 |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0038 |
| logD: | 3.0033 |
| logSw: | -3.5175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.158 |
| InChI Key: | NOGKAXMHUZKGQB-GFCCVEGCSA-N |