N-{2-[butyl(methyl)amino]ethyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-{2-[butyl(methyl)amino]ethyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-{2-[butyl(methyl)amino]ethyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3562 |
| Compound Name: | N-{2-[butyl(methyl)amino]ethyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 459.01 |
| Molecular Formula: | C23 H27 Cl N4 O2 S |
| Smiles: | CCCCN(C)CCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1784 |
| logD: | 3.2298 |
| logSw: | -4.5034 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.917 |
| InChI Key: | DALITDJYFXCYJY-UHFFFAOYSA-N |