N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5703 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 632.74 |
| Molecular Formula: | C33 H36 N4 O7 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8449 |
| logD: | 3.8449 |
| logSw: | -3.9085 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.588 |
| InChI Key: | TXKWIFNPTYNPIM-UHFFFAOYSA-N |