7-[(azepan-1-yl)methyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[(azepan-1-yl)methyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[(azepan-1-yl)methyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
Compound ID: | T634-0603 |
Compound Name: | 7-[(azepan-1-yl)methyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
Molecular Weight: | 331.46 |
Molecular Formula: | C19 H29 N3 O2 |
Smiles: | CCNC(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
Stereo: | ACHIRAL |
logP: | 2.835 |
logD: | 1.2289 |
logSw: | -3.1415 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 38.935 |
InChI Key: | ZENCXGPRHYIHTF-UHFFFAOYSA-N |