N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Chemical Structure Depiction of
N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Compound characteristics
| Compound ID: | S555-1129 |
| Compound Name: | N-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(c2cn(C)nc2C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1267 |
| logD: | 1.1267 |
| logSw: | -2.378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.515 |
| InChI Key: | NTOIDGAHZRWZKL-UHFFFAOYSA-N |