2-bromo-N-[3-(diethylamino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-N-[3-(diethylamino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-N-[3-(diethylamino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2035 |
| Compound Name: | 2-bromo-N-[3-(diethylamino)propyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C22 H26 Br N3 O S |
| Smiles: | CCN(CC)CCCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0309 |
| logD: | 2.3098 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.438 |
| InChI Key: | MMZGYLGEFVAAGB-UHFFFAOYSA-N |