N-(3-chloro-4-fluorophenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
N-(3-chloro-4-fluorophenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Compound characteristics
Compound ID: | S411-0013 |
Compound Name: | N-(3-chloro-4-fluorophenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide |
Molecular Weight: | 387.84 |
Molecular Formula: | C20 H19 Cl F N3 O2 |
Smiles: | CCN1C2CCCN2C(c2ccc(cc12)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6433 |
logD: | 3.6305 |
logSw: | -4.1419 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.704 |
InChI Key: | DEESDAGHZXCREB-GOSISDBHSA-N |