N-(3-methoxypropyl)-1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidine]-4(5H)-carboxamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidine]-4(5H)-carboxamide
N-(3-methoxypropyl)-1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidine]-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S530-1064 |
| Compound Name: | N-(3-methoxypropyl)-1'-(propan-2-yl)-3H-spiro[[1,4]benzoxazepine-2,4'-piperidine]-4(5H)-carboxamide |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C21 H33 N3 O3 |
| Smiles: | CC(C)N1CCC2(CC1)CN(Cc1ccccc1O2)C(NCCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0158 |
| logD: | 0.22 |
| logSw: | -3.4016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.091 |
| InChI Key: | JVSRXJRZPQSBBW-UHFFFAOYSA-N |