7-chloro-2-[3-(dimethylamino)propyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
7-chloro-2-[3-(dimethylamino)propyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
7-chloro-2-[3-(dimethylamino)propyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D491-3256 |
| Compound Name: | 7-chloro-2-[3-(dimethylamino)propyl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 442.96 |
| Molecular Formula: | C23 H23 Cl N2 O3 S |
| Smiles: | CN(C)CCCN1C(C2=C(C1=O)Oc1ccc(cc1C2=O)[Cl])c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2043 |
| logD: | 2.2556 |
| logSw: | -4.7938 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 40.849 |
| InChI Key: | VDRWRFKEQCCOCR-HXUWFJFHSA-N |