10-ethyl-8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-ethyl-8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-ethyl-8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-1855 |
| Compound Name: | 10-ethyl-8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7701 |
| logD: | 2.7701 |
| logSw: | -3.4514 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.019 |
| InChI Key: | WDMXGGBAEREHEQ-UHFFFAOYSA-N |