(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Chemical Structure Depiction of
(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Compound characteristics
| Compound ID: | Y043-6135 |
| Compound Name: | (2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | CSCC[C@@H](C(Nc1ccc2c(c1)OCCCO2)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.657 |
| logD: | 2.6568 |
| logSw: | -3.344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.923 |
| InChI Key: | IWIPNYZRVVJIDF-KRWDZBQOSA-N |