N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0800 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C24 H18 Cl N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5837 |
| logD: | 4.5829 |
| logSw: | -4.8217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.847 |
| InChI Key: | HMKMIRYPFQBFFH-UHFFFAOYSA-N |