1-{7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0178 |
| Compound Name: | 1-{7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)C(c1ccco1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9341 |
| logD: | 1.9341 |
| logSw: | -2.5478 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.367 |
| InChI Key: | ITGHTALNWQEIEP-UHFFFAOYSA-N |