N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-({2-[4-(dimethylamino)anilino]-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-(dimethylamino)anilino]-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-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5710 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[6-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 647.75 |
| Molecular Formula: | C33 H37 N5 O7 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0043 |
| logD: | 2.9958 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.393 |
| InChI Key: | QIGBKFMLHOJAMX-UHFFFAOYSA-N |