2-bromo-11-ethyl-N-[(thiophen-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-11-ethyl-N-[(thiophen-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-11-ethyl-N-[(thiophen-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2175 |
| Compound Name: | 2-bromo-11-ethyl-N-[(thiophen-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 457.41 |
| Molecular Formula: | C21 H17 Br N2 O S2 |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCc1cccs1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.0175 |
| logD: | 6.0174 |
| logSw: | -5.4274 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.662 |
| InChI Key: | QNIBRJFZJNPDSJ-UHFFFAOYSA-N |