1-ethyl-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-pyrazole-3-carboxamide
1-ethyl-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | P618-0517 |
| Compound Name: | 1-ethyl-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccn(CC)n3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3549 |
| logD: | 2.3549 |
| logSw: | -2.9414 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.248 |
| InChI Key: | VZBCLICUQXUFDC-UHFFFAOYSA-N |