10-ethyl-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-ethyl-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-ethyl-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0270 |
| Compound Name: | 10-ethyl-8-[4-(4-nitrophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9462 |
| logD: | 2.9462 |
| logSw: | -3.6839 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.667 |
| InChI Key: | DEUSQQISXRPDCF-UHFFFAOYSA-N |