N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-4-propyl-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-4-propyl-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-4-propyl-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | Y044-1085 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1,5-dioxo-4-propyl-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCCN1C(c2ccccc2N2C(CCC12C(Nc1cccc(c1)SC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1462 |
| logD: | 3.1462 |
| logSw: | -3.6912 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.452 |
| InChI Key: | AOZMUVIXTZRCJB-JOCHJYFZSA-N |