N-ethyl-N'-{4-[(2-oxopyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Chemical Structure Depiction of
N-ethyl-N'-{4-[(2-oxopyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
N-ethyl-N'-{4-[(2-oxopyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea
Compound characteristics
| Compound ID: | S555-0960 |
| Compound Name: | N-ethyl-N'-{4-[(2-oxopyrrolidin-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}urea |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C18 H24 N4 O4 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(CN2CCCC2=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3361 |
| logD: | 0.3361 |
| logSw: | -2.0641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.36 |
| InChI Key: | CXYSFOOYCCQSGR-UHFFFAOYSA-N |