N-ethyl-N'-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of
N-ethyl-N'-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
N-ethyl-N'-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Compound characteristics
| Compound ID: | S555-1093 |
| Compound Name: | N-ethyl-N'-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C17 H23 N5 O4 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)S(c2cnn(CC)c2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.311 |
| logD: | 1.311 |
| logSw: | -2.5231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.918 |
| InChI Key: | LYUZVDSGXBYEJD-UHFFFAOYSA-N |