N-[(2-chloro-4-fluorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0640 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 444.85 |
| Molecular Formula: | C21 H18 Cl F N4 O4 |
| Smiles: | COc1cc2c3c(C(N(CC(NCc4ccc(cc4[Cl])F)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3272 |
| logD: | 2.3272 |
| logSw: | -3.2704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.029 |
| InChI Key: | DSPADERXWAYYFY-UHFFFAOYSA-N |