N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Chemical Structure Depiction of
N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y043-4399 |
| Compound Name: | N-{3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C23 H24 N6 O4 S |
| Smiles: | CSCCC1C(Nc2ccc(cc2C(N1)=O)NC(CCCN1C(c2ccccc2N=N1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1922 |
| logD: | 2.1787 |
| logSw: | -3.1098 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.044 |
| InChI Key: | NGOYNQGGWBCEAM-IBGZPJMESA-N |