N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-4999 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 511.86 |
| Molecular Formula: | C22 H23 Br N2 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(C1=CC(c2ccc(cc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5662 |
| logD: | 4.1859 |
| logSw: | -4.3102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.809 |
| InChI Key: | XUAAXHPVIUIHCF-KRWDZBQOSA-N |