N-(butan-2-yl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-(butan-2-yl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0408 |
| Compound Name: | N-(butan-2-yl)-6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C19 H21 N3 O2 S |
| Smiles: | CCC(C)NC(c1ccc2c(c1)Sc1c(cccn1)C(N2CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8938 |
| logD: | 2.8938 |
| logSw: | -3.5787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.576 |
| InChI Key: | WOCJEXZQSZRLFN-LBPRGKRZSA-N |