methyl 3-{[4-({3-[ethyl(phenyl)amino]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-({3-[ethyl(phenyl)amino]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{[4-({3-[ethyl(phenyl)amino]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3666 |
| Compound Name: | methyl 3-{[4-({3-[ethyl(phenyl)amino]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C29 H30 N4 O4 S |
| Smiles: | CCN(CCCNC(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7526 |
| logD: | 4.7257 |
| logSw: | -4.417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.737 |
| InChI Key: | FKDSFCDXCJDPLQ-UHFFFAOYSA-N |