3-(4-benzylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(4-benzylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(4-benzylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0912 |
| Compound Name: | 3-(4-benzylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C29 H32 N4 O4 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)N1CCN(CC1)Cc1ccccc1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5025 |
| logD: | 4.4008 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.109 |
| InChI Key: | GYVADDBNCDRDAR-UHFFFAOYSA-N |