methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)isoleucinate
Chemical Structure Depiction of
methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)isoleucinate
methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)isoleucinate
Compound characteristics
| Compound ID: | Y043-0193 |
| Compound Name: | methyl N-({[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetyl)isoleucinate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | CC[C@H](C)[C@@H](C(=O)OC)NC(CSCC1NC(c2ccccc2N=1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0541 |
| logD: | 2.0525 |
| logSw: | -2.8737 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.169 |
| InChI Key: | YMJUXTLUDPHTIN-ZBEGNZNMSA-N |