methyl 4-[2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
methyl 4-[2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F394-0046 |
| Compound Name: | methyl 4-[2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C27 H22 N4 O4 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0477 |
| logD: | 4.0475 |
| logSw: | -4.2369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.252 |
| InChI Key: | IGERUUKICXZYFC-UHFFFAOYSA-N |