5-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Chemical Structure Depiction of
5-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
5-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
Compound characteristics
| Compound ID: | E523-0044 |
| Compound Name: | 5-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2Sc2c1cccn2)=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5566 |
| logD: | 1.5566 |
| logSw: | -2.465 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.88 |
| InChI Key: | RXVZHTULHJCPSO-UHFFFAOYSA-N |