5-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Chemical Structure Depiction of
5-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
5-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Compound characteristics
| Compound ID: | E523-0589 |
| Compound Name: | 5-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4424 |
| logD: | 4.4423 |
| logSw: | -4.2808 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.783 |
| InChI Key: | WSXIRRFQNUYYKE-UHFFFAOYSA-N |