(1RS)-1-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
(1RS)-1-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-amine--hydrogen chloride (1/1)
(1RS)-1-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D334-0074 |
| Compound Name: | (1RS)-1-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-methylbutan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 392.74 |
| Molecular Formula: | C14 H18 Br N3 O S |
| Salt: | HCl |
| Smiles: | CC(C)C[C@@H](c1nnc(o1)SCc1ccc(cc1)[Br])N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.182 |
| logD: | 1.809 |
| logSw: | -2.3632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.124 |
| InChI Key: | VBBXFQPSCYTNBI-LBPRGKRZSA-N |