10-ethyl-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-ethyl-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-ethyl-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1930 |
| Compound Name: | 10-ethyl-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C21 H18 N2 O3 S2 |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCc1cccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7781 |
| logD: | 2.7781 |
| logSw: | -3.6302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.213 |
| InChI Key: | TVJCFNZKLMAWAC-UHFFFAOYSA-N |