N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1182 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 612.72 |
| Molecular Formula: | C34 H33 F N4 O4 S |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.859 |
| logD: | 3.7204 |
| logSw: | -4.1099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.159 |
| InChI Key: | CJIIVDMPTDAJHI-UHFFFAOYSA-N |