7-(3-{[(5-methyl-1H-pyrazol-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{[(5-methyl-1H-pyrazol-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{[(5-methyl-1H-pyrazol-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0617 |
| Compound Name: | 7-(3-{[(5-methyl-1H-pyrazol-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(NCc3cn[nH]c3C)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3186 |
| logD: | 2.3186 |
| logSw: | -2.7628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.688 |
| InChI Key: | FUCOGJIXADDNMN-UHFFFAOYSA-N |