8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-1873 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4504 |
| logD: | 2.435 |
| logSw: | -3.0974 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.97 |
| InChI Key: | CYQVBWIJKSUAFE-UHFFFAOYSA-N |