3-methyl-4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3441 |
| Compound Name: | 3-methyl-4-oxo-N-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 479.68 |
| Molecular Formula: | C22 H29 N3 O3 S3 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCC1CCN(CC1)CCc1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9997 |
| logD: | 2.4609 |
| logSw: | -4.0505 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.935 |
| InChI Key: | IOBFGCUCZSRMAY-MRXNPFEDSA-N |