4-[2-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)ethyl]benzene-1-sulfonamide
4-[2-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K263-0122 |
| Compound Name: | 4-[2-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C18 H15 N3 O3 S3 |
| Smiles: | C(CN1C(c2c(c3ccccc3s2)NC1=S)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4633 |
| logD: | 2.4618 |
| logSw: | -2.8565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.394 |
| InChI Key: | DPFWHBNIVJEQSQ-UHFFFAOYSA-N |