[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone
[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SA53-0969 |
| Compound Name: | [3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C19 H20 N6 O2 S |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(c2cccs2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9628 |
| logD: | 0.9598 |
| logSw: | -1.6933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.146 |
| InChI Key: | PZNBCDCMBYUOQP-HNNXBMFYSA-N |