2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate
2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3949-2318 |
| Compound Name: | 2-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C24 H22 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1OC)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7456 |
| logD: | 4.7392 |
| logSw: | -4.6685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.192 |
| InChI Key: | CGYBHCIFXGLJAM-UHFFFAOYSA-N |