4-(1-ethyl-1H-pyrazole-4-sulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
Chemical Structure Depiction of
4-(1-ethyl-1H-pyrazole-4-sulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
4-(1-ethyl-1H-pyrazole-4-sulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
Compound characteristics
| Compound ID: | S555-2060 |
| Compound Name: | 4-(1-ethyl-1H-pyrazole-4-sulfonyl)-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C16 H22 N4 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCOc2ccc(cc2C1)N(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.725 |
| logD: | 1.7097 |
| logSw: | -2.4777 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.2 |
| InChI Key: | ZODYFBPJOBLBQB-UHFFFAOYSA-N |