2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | K263-0035 |
Compound Name: | 2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 456.5 |
Molecular Formula: | C20 H16 N4 O5 S2 |
Smiles: | COc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SCC(N)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.3217 |
logD: | 3.3217 |
logSw: | -3.6833 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 98.851 |
InChI Key: | ZCQXCQPNZHWKAE-UHFFFAOYSA-N |