1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
Chemical Structure Depiction of
1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
Compound characteristics
| Compound ID: | C594-0119 |
| Compound Name: | 1-(3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C21 H17 N5 O3 S |
| Smiles: | COc1ccc2cc3c(N)nn(C(CCN4C(Oc5ccccc45)=S)=O)c3nc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0041 |
| logD: | 3.0041 |
| logSw: | -3.8491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.567 |
| InChI Key: | MFSBFIDDEVKTDJ-UHFFFAOYSA-N |