N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-1026 |
| Compound Name: | N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C28 H31 F N4 O4 S |
| Smiles: | CCN(CC)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1N1CCN(CC1)c1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1295 |
| logD: | 5.0834 |
| logSw: | -4.997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.848 |
| InChI Key: | XZBKEFVBRHHUMC-UHFFFAOYSA-N |