2-{[3-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | G856-1216 |
| Compound Name: | 2-{[3-(3-chlorophenyl)-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: | 465.92 |
| Molecular Formula: | C22 H16 Cl N5 O3 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3c4ccccc4[nH]c3C(N2c2cccc(c2)[Cl])=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.0617 |
| logD: | 4.0525 |
| logSw: | -4.3002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.063 |
| InChI Key: | UWNBBXKANUISAZ-UHFFFAOYSA-N |