5-oxo-6-propyl-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
5-oxo-6-propyl-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
5-oxo-6-propyl-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0526 |
| Compound Name: | 5-oxo-6-propyl-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C21 H19 N3 O2 S2 |
| Smiles: | CCCN1C(c2cccnc2Sc2cc(ccc12)C(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1185 |
| logD: | 4.1185 |
| logSw: | -4.1179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.135 |
| InChI Key: | HUIFGQFUEKBPRM-UHFFFAOYSA-N |