N-[4-(2,5-dimethoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Chemical Structure Depiction of
N-[4-(2,5-dimethoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
N-[4-(2,5-dimethoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea
Compound characteristics
| Compound ID: | S555-1080 |
| Compound Name: | N-[4-(2,5-dimethoxybenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-ethylurea |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)S(c2cc(ccc2OC)OC)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.676 |
| logD: | 2.676 |
| logSw: | -3.2439 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.59 |
| InChI Key: | AYZINXREZCUJPZ-UHFFFAOYSA-N |