2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-5066 |
| Compound Name: | 2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 570.69 |
| Molecular Formula: | C27 H30 N4 O6 S2 |
| Smiles: | C1CCC(CCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9048 |
| logD: | 2.9041 |
| logSw: | -3.7541 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.973 |
| InChI Key: | AQVIERBFNDUVJO-UHFFFAOYSA-N |