methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0236 |
| Compound Name: | methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C22 H21 N3 O6 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.352 |
| logD: | 2.3479 |
| logSw: | -3.1044 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.057 |
| InChI Key: | HOYWJZXMJQSVDU-UHFFFAOYSA-N |