[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Chemical Structure Depiction of
[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S517-1275 |
| Compound Name: | [1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C24 H31 N7 O3 S2 |
| Smiles: | C1CN(CCC1Cc1nncn1CC1CC1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.475 |
| logD: | 2.4747 |
| logSw: | -2.5718 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.134 |
| InChI Key: | PJSZXKBWLBSKLU-UHFFFAOYSA-N |