7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0515 |
| Compound Name: | 7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(NC(C)c3cn(C)nc3C)=O)cc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.567 |
| logD: | 1.567 |
| logSw: | -2.2321 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.396 |
| InChI Key: | GOBNKAMMVPUMHE-HNNXBMFYSA-N |