methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1076 |
| Compound Name: | methyl 2-{[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 592.67 |
| Molecular Formula: | C33 H28 N4 O5 S |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)SC(C(NCc1ccccc1)=O)C(NCc1ccccc1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8247 |
| logD: | 3.8246 |
| logSw: | -4.0536 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.432 |
| InChI Key: | VJJUYXPKSXDSNL-UHFFFAOYSA-N |