(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone
Chemical Structure Depiction of
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone
Compound characteristics
| Compound ID: | G637-3617 |
| Compound Name: | (1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-methyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone |
| Molecular Weight: | 573.68 |
| Molecular Formula: | C28 H29 F2 N3 O4 S2 |
| Smiles: | CC1CCN(C(C2CCN(CC2)S(c2c(C)noc2/C=C/c2ccc(cc2F)F)(=O)=O)=O)c2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0408 |
| logD: | 5.0408 |
| logSw: | -4.6471 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.109 |
| InChI Key: | WNKHTAMFJRIUBU-GOSISDBHSA-N |