(2S)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
(2S)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
(2S)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y041-5683 |
| Compound Name: | (2S)-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | C[C@@H](C(NCC1(CCOCC1)c1ccc(cc1)OC)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4163 |
| logD: | 3.4163 |
| logSw: | -3.7662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.524 |
| InChI Key: | FFKDVXBVGYZTEO-INIZCTEOSA-N |