1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one--hydrogen chloride (1/1)
1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | P891-2065 |
| Compound Name: | 1-{4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-3-(3-methoxyphenyl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 484 |
| Molecular Formula: | C25 H29 N5 O3 |
| Salt: | HCl |
| Smiles: | COc1cccc(CCC(N2CCCN(CC2)c2c(cccn2)c2nc(C3CC3)no2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0836 |
| logD: | 3.8578 |
| logSw: | -4.2416 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.404 |
| InChI Key: | KLVIBTJBVWKHKV-UHFFFAOYSA-N |