N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-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-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062064 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C24 H19 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3801 |
| logD: | 3.3665 |
| logSw: | -3.8121 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.779 |
| InChI Key: | YGSLGNULRIDEOP-UHFFFAOYSA-N |