(3-methylthiophen-2-yl){4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(3-methylthiophen-2-yl){4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone--hydrogen chloride (1/1)
(3-methylthiophen-2-yl){4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | J075-4123 |
| Compound Name: | (3-methylthiophen-2-yl){4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccsc1C(N1CCCN(CC1)Cc1nc(c2ccccc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1561 |
| logD: | 3.1561 |
| logSw: | -2.9658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.444 |
| InChI Key: | AUZACDXSZMETSI-UHFFFAOYSA-N |