N-ethyl-N'-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Chemical Structure Depiction of
N-ethyl-N'-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
N-ethyl-N'-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea
Compound characteristics
| Compound ID: | S555-1082 |
| Compound Name: | N-ethyl-N'-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]urea |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C15 H23 N3 O4 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)S(C(C)C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0484 |
| logD: | 2.0484 |
| logSw: | -3.0552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.688 |
| InChI Key: | KLNIEYTUWQQTGN-UHFFFAOYSA-N |