N-ethyl-N'-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-ethyl-N'-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea--hydrogen chloride (1/1)
N-ethyl-N'-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S555-0488 |
| Compound Name: | N-ethyl-N'-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea--hydrogen chloride (1/1) |
| Molecular Weight: | 271.74 |
| Molecular Formula: | C12 H17 N3 O2 |
| Salt: | HCl |
| Smiles: | CCNC(Nc1ccc2c(CNCCO2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2312 |
| logD: | -1.4098 |
| logSw: | -2.0666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.855 |
| InChI Key: | RTRINCSZSNVGEE-UHFFFAOYSA-N |