2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C798-1055 |
| Compound Name: | 2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | C(CNC(CN1C(c2cccnc2Sc2ccccc12)=O)=O)CN1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0306 |
| logD: | 2.4445 |
| logSw: | -3.6511 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.009 |
| InChI Key: | HTOKXPPLOXRCHA-UHFFFAOYSA-N |