N-[(2-chloro-4-fluorophenyl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(2-chloro-4-fluorophenyl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | F797-0628 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 458.88 |
| Molecular Formula: | C22 H20 Cl F N4 O4 |
| Smiles: | COc1cc2c3c(C(N(CCC(NCc4ccc(cc4[Cl])F)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4988 |
| logD: | 2.4988 |
| logSw: | -3.3375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.008 |
| InChI Key: | XRBGWBDQBYGSBR-UHFFFAOYSA-N |