3-[(4-methoxyphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methoxyphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0062 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-8-nitro-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C24 H22 N4 O5 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SCC(N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5267 |
| logD: | 4.5267 |
| logSw: | -4.3807 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.95 |
| InChI Key: | MTEVYEDOPYCLOF-UHFFFAOYSA-N |