N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-3-(4-oxoquinazolin-3(4H)-yl)propanamide
N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6511 |
| Compound Name: | N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-3-(4-oxoquinazolin-3(4H)-yl)propanamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CSCC[C@H]1C(Nc2ccc(cc2C(N1)=O)NC(CCN1C=Nc2ccccc2C1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7935 |
| logD: | 1.78 |
| logSw: | -2.7936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.45 |
| InChI Key: | TUYPHVQFPAAMLX-IBGZPJMESA-N |