4-methyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Chemical Structure Depiction of
4-methyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
4-methyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Compound characteristics
| Compound ID: | S411-0457 |
| Compound Name: | 4-methyl-N-[3-(methylsulfanyl)phenyl]-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CN1C2CCCN2C(c2ccc(cc12)C(Nc1cccc(c1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7526 |
| logD: | 2.7526 |
| logSw: | -3.5293 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.745 |
| InChI Key: | KYAQYKNRCLUUKO-GOSISDBHSA-N |