N-ethyl-N'-{4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Chemical Structure Depiction of
N-ethyl-N'-{4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
N-ethyl-N'-{4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Compound characteristics
| Compound ID: | S555-0985 |
| Compound Name: | N-ethyl-N'-{4-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)Cc2cccc(c2)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1875 |
| logD: | 0.9593 |
| logSw: | -3.2768 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.981 |
| InChI Key: | RTQUQHGBDAESSK-UHFFFAOYSA-N |