N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Compound characteristics
| Compound ID: | S411-0273 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide |
| Molecular Weight: | 423.82 |
| Molecular Formula: | C20 H17 Cl F3 N3 O2 |
| Smiles: | CN1C2CCCN2C(c2ccc(cc12)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8988 |
| logD: | 3.8574 |
| logSw: | -4.4212 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.745 |
| InChI Key: | MHTDUNHXYXSVQV-QGZVFWFLSA-N |