4-acetamido-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide
Chemical Structure Depiction of
4-acetamido-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide
4-acetamido-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide
Compound characteristics
| Compound ID: | P618-0455 |
| Compound Name: | 4-acetamido-N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]benzamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccc(cc3)NC(C)=O)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7224 |
| logD: | 2.7222 |
| logSw: | -3.3265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.125 |
| InChI Key: | PAJMOXHMDSXHJO-UHFFFAOYSA-N |