6-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
6-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
6-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | G290-1306 |
| Compound Name: | 6-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6539 |
| logD: | 3.6536 |
| logSw: | -3.9108 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.628 |
| InChI Key: | CLBWAVCHLBGLLW-UHFFFAOYSA-N |