4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide
Chemical Structure Depiction of
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide
Compound characteristics
| Compound ID: | D754-0087 |
| Compound Name: | 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]butanamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C28 H27 N5 O3 |
| Smiles: | C(CC(NC[C@@H](CN1Cc2ccccc2C1=O)c1ccccc1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1169 |
| logD: | 3.1169 |
| logSw: | -3.5047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.029 |
| InChI Key: | ILOGVKWBQDLDSA-QFIPXVFZSA-N |