methyl 4-[2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
methyl 4-[2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F394-0255 |
| Compound Name: | methyl 4-[2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)acetamido]benzoate |
| Molecular Weight: | 484.49 |
| Molecular Formula: | C27 H21 F N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(Cn1c2C(N(Cc3ccccc3)C=Nc2c2cc(ccc12)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2281 |
| logD: | 4.2278 |
| logSw: | -4.4131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.252 |
| InChI Key: | FBPDCALDTDSRLT-UHFFFAOYSA-N |