4-(azepan-1-yl)-N-[(2-chloro-4-fluorophenyl)methyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-[(2-chloro-4-fluorophenyl)methyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide
4-(azepan-1-yl)-N-[(2-chloro-4-fluorophenyl)methyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | L331-0752 |
Compound Name: | 4-(azepan-1-yl)-N-[(2-chloro-4-fluorophenyl)methyl][1]benzofuro[3,2-d]pyrimidine-2-carboxamide |
Molecular Weight: | 452.91 |
Molecular Formula: | C24 H22 Cl F N4 O2 |
Smiles: | C1CCCN(CC1)c1c2c(c3ccccc3o2)nc(C(NCc2ccc(cc2[Cl])F)=O)n1 |
Stereo: | ACHIRAL |
logP: | 6.371 |
logD: | 6.3693 |
logSw: | -6.4199 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.844 |
InChI Key: | STDQVLAYPQKJRT-UHFFFAOYSA-N |