1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-(thiophen-2-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-(thiophen-2-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-(thiophen-2-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | F402-0432 |
| Compound Name: | 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethyl-4-(thiophen-2-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C27 H27 F N4 O2 S |
| Smiles: | Cc1cc2c(cc1C)N(CC(N1CCN(CC1)c1ccc(cc1)F)=O)C(CC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5394 |
| logD: | 4.5394 |
| logSw: | -4.3913 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.261 |
| InChI Key: | NSZIRTBAYRGRHJ-UHFFFAOYSA-N |