[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepan-1-yl](phenyl)methanone
Chemical Structure Depiction of
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepan-1-yl](phenyl)methanone
[2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepan-1-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SA53-0850 |
| Compound Name: | [2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepan-1-yl](phenyl)methanone |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C18 H25 N5 O3 S |
| Smiles: | CCCS(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1137 |
| logD: | 1.1131 |
| logSw: | -2.2042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.927 |
| InChI Key: | UAYKVTSGYZWPSR-INIZCTEOSA-N |