N-ethyl-N'-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Chemical Structure Depiction of
N-ethyl-N'-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
N-ethyl-N'-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Compound characteristics
| Compound ID: | S555-0983 |
| Compound Name: | N-ethyl-N'-{4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C18 H23 N3 O2 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)Cc2c(C)ccs2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4188 |
| logD: | 2.8937 |
| logSw: | -3.4855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.456 |
| InChI Key: | WNGJAMNTNSZHSV-UHFFFAOYSA-N |