2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-2225 |
| Compound Name: | 2-[(3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 533.05 |
| Molecular Formula: | C28 H25 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(CSC1=Nc2c3cc(ccc3n(C)c2C(N1Cc1ccccc1)=O)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2804 |
| logD: | 5.2803 |
| logSw: | -5.7485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.437 |
| InChI Key: | LQJBKOILEYHYQE-UHFFFAOYSA-N |