N-[2-(4-chlorophenyl)ethyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(4-chlorophenyl)ethyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0707 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 459.01 |
| Molecular Formula: | C23 H27 Cl N4 O2 S |
| Smiles: | CCN(CC)CCN1C(c2ccc(cc2NC1=S)C(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7178 |
| logD: | 2.2703 |
| logSw: | -4.2947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.234 |
| InChI Key: | VUCBBHYGVTZYAD-UHFFFAOYSA-N |