N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Chemical Structure Depiction of
N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6517 |
| Compound Name: | N-{(3S)-3-[2-(methylsulfanyl)ethyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CSCC[C@H]1C(Nc2ccc(cc2C(N1)=O)NC(CC1c2ccccc2C(NN=1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8417 |
| logD: | 1.8282 |
| logSw: | -2.7966 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.395 |
| InChI Key: | VJZNXKNLMNNUAF-KRWDZBQOSA-N |