8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0289 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5801 |
| logD: | 2.5646 |
| logSw: | -3.2618 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.566 |
| InChI Key: | KRNFRWOUZLIVAU-UHFFFAOYSA-N |