N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K284-5534 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 697.79 |
| Molecular Formula: | C32 H35 N5 O9 S2 |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9841 |
| logD: | 0.9834 |
| logSw: | -2.452 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 157.355 |
| InChI Key: | GOUIDIRNQQKVKB-UHFFFAOYSA-N |