N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | P618-0439 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C21 H20 N4 O2 S2 |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3c(C)nc(C)s3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3739 |
| logD: | 3.3739 |
| logSw: | -3.8313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.251 |
| InChI Key: | ODNOMSLNZDQAGU-UHFFFAOYSA-N |