ethyl 3-{2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Chemical Structure Depiction of
ethyl 3-{2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
ethyl 3-{2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate
Compound characteristics
| Compound ID: | L392-1548 |
| Compound Name: | ethyl 3-{2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Smiles: | CCOC(N1CCC2=C(C1)N=C(c1ccc(cc1)F)N(CC(Nc1ccc3CCCc3c1)=O)C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8704 |
| logD: | 3.8702 |
| logSw: | -3.8707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.47 |
| InChI Key: | KKQGXBZSWOLFME-UHFFFAOYSA-N |