5,5-dioxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
5,5-dioxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
5,5-dioxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C909-0437 |
| Compound Name: | 5,5-dioxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C22 H29 N3 O3 S2 |
| Smiles: | CCCN1CCN(CCCNC(c2cc3CS(c4ccccc4c3s2)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3985 |
| logD: | 1.4337 |
| logSw: | -2.9253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.459 |
| InChI Key: | AIMXXWILLNYYIA-UHFFFAOYSA-N |