N-(cyclopropylmethyl)-3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N-(cyclopropylmethyl)-3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-2131 |
| Compound Name: | N-(cyclopropylmethyl)-3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | COc1cccc(CN2CCOc3ccc(CCC(NCC4CC4)=O)cc3C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2172 |
| logD: | 1.4416 |
| logSw: | -3.2697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.194 |
| InChI Key: | ZXVFJMJOUYCJMM-UHFFFAOYSA-N |