4-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
4-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5608 |
| Compound Name: | 4-[6-{[2-(butylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C27 H32 N4 O6 S |
| Smiles: | CCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9399 |
| logD: | 2.9399 |
| logSw: | -3.5548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.465 |
| InChI Key: | JNXZVYZRRYBVQA-UHFFFAOYSA-N |