3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
Chemical Structure Depiction of
3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
Compound characteristics
| Compound ID: | S629-1904 |
| Compound Name: | 3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | C(Cc1ccc2c(CN(CCO2)S(c2ccc(C#N)cc2)(=O)=O)c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6669 |
| logD: | 2.6669 |
| logSw: | -3.2074 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.206 |
| InChI Key: | FUXGYUZKZAHZKQ-UHFFFAOYSA-N |