3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1582 |
| Compound Name: | 3-[4-(4-cyanobenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | C(Cc1ccc2c(CN(CCO2)S(c2ccc(C#N)cc2)(=O)=O)c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8472 |
| logD: | 1.8472 |
| logSw: | -2.7176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.338 |
| InChI Key: | KVRMSANKLDVZQT-UHFFFAOYSA-N |