methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1063 |
| Compound Name: | methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 586.71 |
| Molecular Formula: | C32 H34 N4 O5 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(=O)OC)SC(C(NCc1ccccc1)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8465 |
| logD: | 4.8465 |
| logSw: | -4.6173 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.293 |
| InChI Key: | BMAJLTMRKSWLLY-UHFFFAOYSA-N |