N-[2-(benzylsulfanyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062027 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(NCCSCc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5167 |
| logD: | 4.5159 |
| logSw: | -4.3216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.117 |
| InChI Key: | ZGVWPYUKUBEIQM-UHFFFAOYSA-N |