8-(4-ethylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(4-ethylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(4-ethylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1091 |
| Compound Name: | 8-(4-ethylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C27 H26 F N3 O4 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.869 |
| logD: | 2.6928 |
| logSw: | -3.5651 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.566 |
| InChI Key: | OUQSOPKGCCRDGG-UHFFFAOYSA-N |