2-bromo-11-ethyl-N-[3-(morpholin-4-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-11-ethyl-N-[3-(morpholin-4-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-11-ethyl-N-[3-(morpholin-4-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2166 |
| Compound Name: | 2-bromo-11-ethyl-N-[3-(morpholin-4-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 488.45 |
| Molecular Formula: | C23 H26 Br N3 O2 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCCN1CCOCC1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.238 |
| logD: | 3.8498 |
| logSw: | -4.0672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.376 |
| InChI Key: | OPISDYOQXZCADW-UHFFFAOYSA-N |