2-bromo-N-(2-methoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-N-(2-methoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-N-(2-methoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2051 |
| Compound Name: | 2-bromo-N-(2-methoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 405.31 |
| Molecular Formula: | C18 H17 Br N2 O2 S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCOC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1843 |
| logD: | 4.1843 |
| logSw: | -4.2828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.369 |
| InChI Key: | QQBRIIYUFCUNSJ-UHFFFAOYSA-N |