1-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]-3-[(naphthalen-1-yl)oxy]propan-2-yl (4-oxoquinazolin-3(4H)-yl)acetate
Chemical Structure Depiction of
1-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]-3-[(naphthalen-1-yl)oxy]propan-2-yl (4-oxoquinazolin-3(4H)-yl)acetate
1-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]-3-[(naphthalen-1-yl)oxy]propan-2-yl (4-oxoquinazolin-3(4H)-yl)acetate
Compound characteristics
| Compound ID: | 8010-5990 |
| Compound Name: | 1-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]-3-[(naphthalen-1-yl)oxy]propan-2-yl (4-oxoquinazolin-3(4H)-yl)acetate |
| Molecular Weight: | 582.64 |
| Molecular Formula: | C31 H26 N4 O6 S |
| Smiles: | CN(CC(COc1cccc2ccccc12)OC(CN1C=Nc2ccccc2C1=O)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7126 |
| logD: | 3.7126 |
| logSw: | -3.9443 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.651 |
| InChI Key: | DHDREZOKNZIPOV-QFIPXVFZSA-N |