3,3'-(ethane-1,2-diyl)bis{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one}
Chemical Structure Depiction of
3,3'-(ethane-1,2-diyl)bis{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one}
3,3'-(ethane-1,2-diyl)bis{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one}
Compound characteristics
| Compound ID: | K284-2788 |
| Compound Name: | 3,3'-(ethane-1,2-diyl)bis{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]quinazolin-4(3H)-one} |
| Molecular Weight: | 578.75 |
| Molecular Formula: | C30 H34 N4 O4 S2 |
| Smiles: | CC(C)(C)C(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9284 |
| logD: | 4.9284 |
| logSw: | -4.6 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.569 |
| InChI Key: | NBWNGGKDZUDAIE-UHFFFAOYSA-N |