N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-fluoro-4-methoxybenzamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-fluoro-4-methoxybenzamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-fluoro-4-methoxybenzamide
Compound characteristics
| Compound ID: | P895-0193 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-3-fluoro-4-methoxybenzamide |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C22 H18 F N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(c(c1)F)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1079 |
| logD: | 4.1078 |
| logSw: | -4.2738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.171 |
| InChI Key: | PQCKZHGMIUDHFH-UHFFFAOYSA-N |