ethyl 4-(5-{[(4-fluorophenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{[(4-fluorophenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
ethyl 4-(5-{[(4-fluorophenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
Compound characteristics
| Compound ID: | G202-0872 |
| Compound Name: | ethyl 4-(5-{[(4-fluorophenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C29 H26 F N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(NCc2ccc(cc2)F)=O)c2c3ccccc3n(C)c2SCC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6245 |
| logD: | 4.6245 |
| logSw: | -4.2836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.743 |
| InChI Key: | KBGIVWDKYQFYPI-SANMLTNESA-N |