N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062023 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(NCCc2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5865 |
| logD: | 4.5857 |
| logSw: | -4.7518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.117 |
| InChI Key: | BBAOMWSJJCZYCU-UHFFFAOYSA-N |