11-(3-bromophenyl)-11,11a-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Chemical Structure Depiction of
11-(3-bromophenyl)-11,11a-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
11-(3-bromophenyl)-11,11a-dihydro-12H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-one
Compound characteristics
| Compound ID: | 5750-3098 |
| Compound Name: | 11-(3-bromophenyl)-11,11a-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(c4cccc(c4)[Br])Sc4ccccc4N=C3c2c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6817 |
| logD: | 5.6677 |
| logSw: | -5.9211 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.9818 |
| InChI Key: | MMLHVFADLFMJOB-UHFFFAOYSA-N |