6-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
6-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
6-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | G290-1303 |
| Compound Name: | 6-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | C(CC(N1CCN(CC1)C(c1ccco1)=O)=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1229 |
| logD: | 2.1229 |
| logSw: | -2.7732 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.858 |
| InChI Key: | MPSXMXUKPVYPAR-UHFFFAOYSA-N |