N-ethyl-N'-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of
N-ethyl-N'-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
N-ethyl-N'-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Compound characteristics
| Compound ID: | S555-0957 |
| Compound Name: | N-ethyl-N'-[4-(1-methyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(c2cnn(C)c2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8894 |
| logD: | 0.8894 |
| logSw: | -2.1782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.162 |
| InChI Key: | PCMVQPRMZSUCHC-UHFFFAOYSA-N |