3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzoate
Chemical Structure Depiction of
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzoate
3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 5750-3535 |
| Compound Name: | 3-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzoate |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C30 H21 N O3 S |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cccc(c1)C1C2=C(c3ccccc3C2=O)Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7157 |
| logD: | 6.7157 |
| logSw: | -5.7206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.13 |
| InChI Key: | XCVRPILBNMEFPS-GDLZYMKVSA-N |