(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | Y042-4939 |
| Compound Name: | (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | C[C@@H](C(Nc1nc2CCCCc2s1)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8228 |
| logD: | 3.7712 |
| logSw: | -3.9794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.296 |
| InChI Key: | LAIIHCTYIMJQHT-JTQLQIEISA-N |