7-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
7-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0204 |
| Compound Name: | 7-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 439.98 |
| Molecular Formula: | C19 H22 Cl N3 O3 S2 |
| Smiles: | CN1CCN(CCNC(c2cc3CS(c4cc(ccc4c3s2)[Cl])(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.1109 |
| logD: | 1.4434 |
| logSw: | -3.3335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.146 |
| InChI Key: | AWPQISOEELRSBM-UHFFFAOYSA-N |