7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2308 |
| Compound Name: | 7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C19 H21 N3 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCN(CC1)C(c1ccco1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.619 |
| logD: | 1.6186 |
| logSw: | -2.6003 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.136 |
| InChI Key: | CXWNFPYVPQPQFD-CYBMUJFWSA-N |