N-ethyl-N'-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of
N-ethyl-N'-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
N-ethyl-N'-[4-(3-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Compound characteristics
| Compound ID: | S555-0918 |
| Compound Name: | N-ethyl-N'-[4-(3-methyl-1H-pyrazole-5-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(c2cc(C)n[nH]2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7103 |
| logD: | 1.7102 |
| logSw: | -2.4258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.921 |
| InChI Key: | BYWUBZKOESKHAT-UHFFFAOYSA-N |