3-methyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3439 |
| Compound Name: | 3-methyl-N-{[1-(3-methylbutyl)piperidin-4-yl]methyl}-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 439.64 |
| Molecular Formula: | C21 H33 N3 O3 S2 |
| Smiles: | CC(C)CCN1CCC(CC1)CNS(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9949 |
| logD: | 1.1776 |
| logSw: | -4.0442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.188 |
| InChI Key: | DFZLDFGZVCQLEV-MRXNPFEDSA-N |