N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide
Compound characteristics
| Compound ID: | P895-0235 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)propanamide |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | CCC(Nc1ccc2c(c1)Sc1c(cccn1)C(N2CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8753 |
| logD: | 2.8753 |
| logSw: | -3.5353 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.599 |
| InChI Key: | DOAIOCWECPNGTE-UHFFFAOYSA-N |