N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1933 |
| Compound Name: | N-cyclopropyl-3-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCOc2ccc(CCC(NC3CC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.935 |
| logD: | 1.935 |
| logSw: | -2.7526 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.012 |
| InChI Key: | DDSMDPMOHOOXQX-UHFFFAOYSA-N |