N-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]-L-isoleucine
Chemical Structure Depiction of
N-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]-L-isoleucine
N-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]-L-isoleucine
Compound characteristics
| Compound ID: | Y040-2775 |
| Compound Name: | N-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]-L-isoleucine |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C17 H21 N3 O5 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC([C@H](C)N1C(c2ccccc2NC1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4111 |
| logD: | -3.2181 |
| logSw: | -2.2274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.538 |
| InChI Key: | HVAJXHGXQQGHGI-NRUUGDAUSA-N |