N-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1733 |
| Compound Name: | N-[4-(1-ethyl-1H-pyrazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C18 H22 N4 O4 S |
| Smiles: | CCn1cc(cn1)S(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5215 |
| logD: | 1.5215 |
| logSw: | -2.562 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.01 |
| InChI Key: | TXGDFFKTKHXTFU-UHFFFAOYSA-N |