N-ethyl-N'-[4-(2-methylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of
N-ethyl-N'-[4-(2-methylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
N-ethyl-N'-[4-(2-methylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Compound characteristics
| Compound ID: | S555-0908 |
| Compound Name: | N-ethyl-N'-[4-(2-methylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea |
| Molecular Weight: | 305.38 |
| Molecular Formula: | C16 H23 N3 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(C(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2549 |
| logD: | 2.2549 |
| logSw: | -3.0492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.625 |
| InChI Key: | RMBADQGKAQSJEJ-UHFFFAOYSA-N |