N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-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-{8-oxo-6-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide
Compound characteristics
| Compound ID: | K284-5510 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{8-oxo-6-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}propanamide |
| Molecular Weight: | 667.72 |
| Molecular Formula: | C30 H29 N5 O9 S2 |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6054 |
| logD: | 1.6047 |
| logSw: | -2.6426 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 159.368 |
| InChI Key: | BCLUHKPWXPIBSE-UHFFFAOYSA-N |