(2S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Chemical Structure Depiction of
(2S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
(2S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-8986 |
| Compound Name: | (2S)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | CC(C)[C@@H](C(NCCc1c[nH]c2ccc(cc12)[Cl])=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.7025 |
| logD: | 4.7025 |
| logSw: | -4.6867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.483 |
| InChI Key: | WTLUJQNBHGNOBT-FQEVSTJZSA-N |