N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]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-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]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-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-5515 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
| Molecular Weight: | 620.64 |
| Molecular Formula: | C30 H28 N4 O9 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=Nc2cc3c(cc2C(N1CCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.534 |
| logD: | 3.5339 |
| logSw: | -3.8392 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.078 |
| InChI Key: | IMNNEJPBTRIHBG-UHFFFAOYSA-N |