N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 5867-1982 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C30 H29 N3 O5 S |
| Smiles: | CC1(C)CC(c2c(c3ccc(cc3)OC)c(C#N)c(nc2C1)SCCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0349 |
| logD: | 5.0349 |
| logSw: | -4.9187 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.299 |
| InChI Key: | MBMJYMCSICSGEM-UHFFFAOYSA-N |