3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 2-fluorobenzoate
Chemical Structure Depiction of
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 2-fluorobenzoate
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 4582-0218 |
| Compound Name: | 3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 2-fluorobenzoate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C29 H18 F N O3 S |
| Smiles: | c1ccc2C(C3C(c4cccc(c4)OC(c4ccccc4F)=O)Sc4ccccc4NC=3c2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4462 |
| logD: | 6.4461 |
| logSw: | -6.1962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.13 |
| InChI Key: | HPESVKVASAEPEE-MUUNZHRXSA-N |