N-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1722 |
| Compound Name: | N-[4-(propane-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 338.42 |
| Molecular Formula: | C16 H22 N2 O4 S |
| Smiles: | CC(C)S(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.259 |
| logD: | 2.2589 |
| logSw: | -3.0639 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.779 |
| InChI Key: | UBTWXSCZNUCCRC-UHFFFAOYSA-N |