N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5633 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C32 H33 N3 O6 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc4c(cc3C(N2CCCC(NCc2ccc3c(c2)OCO3)=O)=O)OCO4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6545 |
| logD: | 5.6545 |
| logSw: | -5.2735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.452 |
| InChI Key: | HJVHRLVHHADIPP-UHFFFAOYSA-N |