8-methyl-3-[4-(pyridin-2-yl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
8-methyl-3-[4-(pyridin-2-yl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
8-methyl-3-[4-(pyridin-2-yl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0913 |
| Compound Name: | 8-methyl-3-[4-(pyridin-2-yl)piperazin-1-yl]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C27 H29 N5 O4 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)N1CCN(CC1)c1ccccn1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4891 |
| logD: | 4.4373 |
| logSw: | -4.327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.34 |
| InChI Key: | BQDQHOGRRNYGIF-UHFFFAOYSA-N |