7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-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-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0641 |
| Compound Name: | 7-(3-{[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(NC(C)c3cn(C)nc3C)=O)cc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1589 |
| logD: | 2.1589 |
| logSw: | -2.9008 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.745 |
| InChI Key: | CIHCPKFMXKGOKW-INIZCTEOSA-N |