3-methyl-2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-methyl-2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-methyl-2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8009-2615 |
| Compound Name: | 3-methyl-2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C20 H18 N4 O3 S2 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCc1c[nH]c2cc(ccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6357 |
| logD: | 4.6357 |
| logSw: | -4.7196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.883 |
| InChI Key: | HMYLWFNRMAZPIV-UHFFFAOYSA-N |