6-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
6-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
6-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0417 |
| Compound Name: | 6-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(NCc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5964 |
| logD: | 3.5964 |
| logSw: | -3.8358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.407 |
| InChI Key: | VBIPNBQBCZKQMD-UHFFFAOYSA-N |