N-(3-ethoxypropyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(3-ethoxypropyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(3-ethoxypropyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0298 |
| Compound Name: | N-(3-ethoxypropyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C20 H31 N3 O3 |
| Smiles: | CCOCCCNC(N1CCOc2ccc(CN3CCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4389 |
| logD: | 0.3774 |
| logSw: | -2.8494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.163 |
| InChI Key: | SWTHEKQRVYZTEF-UHFFFAOYSA-N |