N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-5516 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
| Molecular Weight: | 603.65 |
| Molecular Formula: | C30 H29 N5 O7 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8788 |
| logD: | 3.8703 |
| logSw: | -3.9628 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.406 |
| InChI Key: | KRBYMBLFUMQACK-UHFFFAOYSA-N |