N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1047 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C26 H20 N4 O5 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8634 |
| logD: | 3.8634 |
| logSw: | -4.2119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.926 |
| InChI Key: | SMRSEPWAZMVMHL-UHFFFAOYSA-N |