N-[(furan-2-yl)methyl]-5-oxo-6-propyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-5-oxo-6-propyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-[(furan-2-yl)methyl]-5-oxo-6-propyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0515 |
| Compound Name: | N-[(furan-2-yl)methyl]-5-oxo-6-propyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCCN1C(c2cccnc2Sc2cc(ccc12)C(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8942 |
| logD: | 3.8941 |
| logSw: | -3.8762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.865 |
| InChI Key: | HYGIQVZVPATCMG-UHFFFAOYSA-N |