2-bromo-11-ethyl-N-(3-phenylpropyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-11-ethyl-N-(3-phenylpropyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-11-ethyl-N-(3-phenylpropyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3869 |
| Compound Name: | 2-bromo-11-ethyl-N-(3-phenylpropyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 479.44 |
| Molecular Formula: | C25 H23 Br N2 O S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCCc1ccccc1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.9526 |
| logD: | 6.9524 |
| logSw: | -5.5953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.486 |
| InChI Key: | CPOSFWNAPYKBPT-UHFFFAOYSA-N |