N,N-dimethyl-3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N,N-dimethyl-3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1150 |
| Compound Name: | N,N-dimethyl-3-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(c2cnn(C)c2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5314 |
| logD: | 0.5314 |
| logSw: | -1.5905 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.113 |
| InChI Key: | BPVBODXWMRWOIS-UHFFFAOYSA-N |