[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0982 |
| Compound Name: | [4-(5-methylthiophene-2-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(c2ccc(C)s2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5987 |
| logD: | 1.5956 |
| logSw: | -1.9577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.146 |
| InChI Key: | LMFFQOMJVTVANK-INIZCTEOSA-N |