4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Chemical Structure Depiction of
4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Compound characteristics
| Compound ID: | 3333-3100 |
| Compound Name: | 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine |
| Molecular Weight: | 424.36 |
| Molecular Formula: | C22 H18 Br N O S |
| Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)[Br])=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3226 |
| logD: | 6.3224 |
| logSw: | -5.8034 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.4023 |
| InChI Key: | ZREMFCJVCQHTIG-QFIPXVFZSA-N |