ethyl 4-[2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
ethyl 4-[2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F394-0393 |
| Compound Name: | ethyl 4-[2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C29 H26 N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c2C(N(Cc3ccccc3)C=Nc2c2cc(C)ccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1281 |
| logD: | 5.1279 |
| logSw: | -5.1499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.831 |
| InChI Key: | KPFDTBWMUQUSCY-UHFFFAOYSA-N |