2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
Compound ID: | G856-1052 |
Compound Name: | 2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
Molecular Weight: | 461.5 |
Molecular Formula: | C23 H19 N5 O4 S |
Smiles: | Cc1cc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2ccc(cc2)OC)=O)=O)no1 |
Stereo: | ACHIRAL |
logP: | 3.4046 |
logD: | 3.3954 |
logSw: | -3.9967 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.606 |
InChI Key: | IGAFBEKXBSRCGD-UHFFFAOYSA-N |