3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0879 |
| Compound Name: | 3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C28 H29 F N4 O4 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)N1CCN(CC1)c1ccc(cc1)F)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9721 |
| logD: | 4.9259 |
| logSw: | -4.6588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.829 |
| InChI Key: | WTKACKQZTWTHSS-UHFFFAOYSA-N |