N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3576 |
| Compound Name: | N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C27 H27 Cl N4 O2 S |
| Smiles: | CN(CCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5618 |
| logD: | 3.1207 |
| logSw: | -4.7043 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.667 |
| InChI Key: | JTMRKLOTJUIIGB-UHFFFAOYSA-N |