(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
Chemical Structure Depiction of
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | Y043-6136 |
| Compound Name: | (2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CSCC[C@@H](C(NCCn1cccc1)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3472 |
| logD: | 2.347 |
| logSw: | -3.059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.993 |
| InChI Key: | ONQPTHDTJQIQCF-INIZCTEOSA-N |