2-chloro-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide
Chemical Structure Depiction of
2-chloro-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide
2-chloro-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | P618-0472 |
| Compound Name: | 2-chloro-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C21 H17 Cl N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccnc(c3)[Cl])=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1127 |
| logD: | 3.1125 |
| logSw: | -3.6822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.778 |
| InChI Key: | XOTGTPZICZRFTH-UHFFFAOYSA-N |