2-(benzylamino)-N-[(4-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(benzylamino)-N-[(4-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(benzylamino)-N-[(4-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-3928 |
| Compound Name: | 2-(benzylamino)-N-[(4-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc3C(N4C(=Nc3c2)SC(NCc2ccccc2)=N4)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1748 |
| logD: | 3.156 |
| logSw: | -3.6207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.146 |
| InChI Key: | NTPKKAHJHFPFJB-UHFFFAOYSA-N |