4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-5676 |
| Compound Name: | 4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 617.77 |
| Molecular Formula: | C34 H39 N3 O6 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc4c(cc3C(N2CCCC(NCCc2ccc(c(c2)OC)OC)=O)=O)OCO4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0332 |
| logD: | 5.0332 |
| logSw: | -4.5126 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.439 |
| InChI Key: | HYGCNUWYSYZGEN-UHFFFAOYSA-N |