3-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-sulfanylquinazolin-4(3H)-one
3-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K017-0022 |
| Compound Name: | 3-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 401.24 |
| Molecular Formula: | C16 H9 Br N4 O2 S |
| Smiles: | c1ccc2c(c1)C(N(C(=N2)S)/N=C1C(Nc2ccc(cc/12)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6267 |
| logD: | -2.7699 |
| logSw: | -3.5678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.557 |
| InChI Key: | IIDTURYABWTQRX-UHFFFAOYSA-N |