5-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Chemical Structure Depiction of
5-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
5-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Compound characteristics
| Compound ID: | E523-0048 |
| Compound Name: | 5-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0877 |
| logD: | 3.0872 |
| logSw: | -3.5517 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.65 |
| InChI Key: | DLIAEHYMSDSWGM-UHFFFAOYSA-N |