N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5861 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide |
| Molecular Weight: | 628.7 |
| Molecular Formula: | C33 H32 N4 O7 S |
| Smiles: | C1CCC(CC1)NC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.039 |
| logD: | 5.039 |
| logSw: | -4.7792 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.612 |
| InChI Key: | MEJXFERBTDNAQO-UHFFFAOYSA-N |