(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
Chemical Structure Depiction of
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | Y042-5342 |
| Compound Name: | (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | C[C@@H](C(Nc1nc2CCCCCc2s1)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.3187 |
| logD: | 4.2671 |
| logSw: | -4.3112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.628 |
| InChI Key: | NXVWFYXNAFPCTN-NSHDSACASA-N |