7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-1344 |
| Compound Name: | 7-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C22 H25 N3 O6 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(N1CCN(CC1)C(c1ccco1)=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6254 |
| logD: | 0.6252 |
| logSw: | -2.3796 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.582 |
| InChI Key: | CSEFNFCMSRGNRJ-OAHLLOKOSA-N |