N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-5490 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
| Molecular Weight: | 573.67 |
| Molecular Formula: | C31 H31 N3 O6 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc4c(cc3C(N2CCC(NCc2ccc3c(c2)OCO3)=O)=O)OCO4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9078 |
| logD: | 5.9078 |
| logSw: | -5.4122 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.452 |
| InChI Key: | UTXPGVAVHSMDNA-UHFFFAOYSA-N |