1-(4-ethylpiperazin-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-(4-ethylpiperazin-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-(4-ethylpiperazin-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0677 |
| Compound Name: | 1-(4-ethylpiperazin-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C19 H29 N3 O4 S |
| Smiles: | CCN1CCN(CC1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0852 |
| logD: | 0.7648 |
| logSw: | -2.3805 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.315 |
| InChI Key: | TZUSTBLCHPOTPU-UHFFFAOYSA-N |