[4-(4-nitrophenyl)piperazin-1-yl](1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Chemical Structure Depiction of
[4-(4-nitrophenyl)piperazin-1-yl](1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
[4-(4-nitrophenyl)piperazin-1-yl](1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Compound characteristics
| Compound ID: | C700-0897 |
| Compound Name: | [4-(4-nitrophenyl)piperazin-1-yl](1,4,11-trimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | CC1c2c(C)ccc(C)c2Sc2ccc(cc2N=1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3378 |
| logD: | 5.336 |
| logSw: | -5.4203 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.79 |
| InChI Key: | UYJKVPOVDZLYOS-UHFFFAOYSA-N |