methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)-L-phenylalaninate
Chemical Structure Depiction of
methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)-L-phenylalaninate
methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y044-0836 |
| Compound Name: | methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)-L-phenylalaninate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COC([C@H](Cc1ccccc1)NC(CSCC1NC(c2ccccc2N=1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9465 |
| logD: | 1.9448 |
| logSw: | -2.8761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.176 |
| InChI Key: | NPJSXTLRUGXVNO-KRWDZBQOSA-N |