1-(2,3-dihydro-1H-indol-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1H-indol-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-(2,3-dihydro-1H-indol-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-0669 |
| Compound Name: | 1-(2,3-dihydro-1H-indol-1-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CS(N1CCOc2ccc(CCC(N3CCc4ccccc34)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.014 |
| logD: | 3.014 |
| logSw: | -3.4595 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.809 |
| InChI Key: | CCDZCQBDEGIYTA-UHFFFAOYSA-N |