5-bromo-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide
5-bromo-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | P895-0140 |
| Compound Name: | 5-bromo-N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide |
| Molecular Weight: | 444.3 |
| Molecular Formula: | C19 H14 Br N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(o1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1346 |
| logD: | 4.1342 |
| logSw: | -4.193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.466 |
| InChI Key: | JQIQOOWYTMLXFT-UHFFFAOYSA-N |