3-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0895 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C26 H24 Cl N3 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3C(N(Cc4ccc(cc4)[Cl])C(Nc3c2)=S)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1212 |
| logD: | 4.1204 |
| logSw: | -4.5776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.834 |
| InChI Key: | RXQXVGMNWXNGCQ-UHFFFAOYSA-N |