N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-0835 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C26 H20 N4 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8989 |
| logD: | 2.8989 |
| logSw: | -3.4847 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.09 |
| InChI Key: | CXXVTPCSEKLXHV-UHFFFAOYSA-N |