11-(2-bromophenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Chemical Structure Depiction of
11-(2-bromophenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
11-(2-bromophenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Compound characteristics
| Compound ID: | Y020-5706 |
| Compound Name: | 11-(2-bromophenyl)-5,11-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C22 H14 Br N O S |
| Smiles: | c1ccc2C(C3C(c4ccccc4[Br])Sc4ccccc4NC=3c2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7916 |
| logD: | 5.7916 |
| logSw: | -5.9028 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.752 |
| InChI Key: | SMYXPQVJFUUVMW-JOCHJYFZSA-N |