N-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
N-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S555-1484 |
| Compound Name: | N-[4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C18 H24 N2 O3 |
| Smiles: | CC(C)CC(N1CCOc2ccc(cc2C1)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8516 |
| logD: | 2.8516 |
| logSw: | -3.29 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.189 |
| InChI Key: | YAAWUQNHUIYVMP-UHFFFAOYSA-N |