N,N-dimethyl-4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
Chemical Structure Depiction of
N,N-dimethyl-4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
N,N-dimethyl-4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
Compound characteristics
| Compound ID: | S555-1974 |
| Compound Name: | N,N-dimethyl-4-{[3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C19 H22 N4 O S |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)Cc2c[nH]nc2c2cccs2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6259 |
| logD: | -0.4742 |
| logSw: | -3.7419 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.928 |
| InChI Key: | JWIGXDLGEKFGPR-UHFFFAOYSA-N |