3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
Chemical Structure Depiction of
3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
Compound characteristics
| Compound ID: | S629-1664 |
| Compound Name: | 3-[4-(3-cyanobenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)C(c2cccc(C#N)c2)=O)c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.286 |
| logD: | 2.286 |
| logSw: | -2.8709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.143 |
| InChI Key: | SPGVGPUCLCHUHU-UHFFFAOYSA-N |