3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-chlorobenzoate
Chemical Structure Depiction of
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-chlorobenzoate
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 5750-3504 |
| Compound Name: | 3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-chlorobenzoate |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C29 H18 Cl N O3 S |
| Smiles: | c1ccc2C(C3C(c4cccc(c4)OC(c4ccc(cc4)[Cl])=O)Sc4ccccc4NC=3c2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.887 |
| logD: | 6.887 |
| logSw: | -6.5822 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.13 |
| InChI Key: | KDMIVAKTPSDNMJ-MUUNZHRXSA-N |