7-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1809 |
| Compound Name: | 7-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C20 H22 F N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4298 |
| logD: | 3.4294 |
| logSw: | -4.0373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.117 |
| InChI Key: | GUOUTNXQXXZHDW-CQSZACIVSA-N |