[1-(2,1,3-benzoxadiazole-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-benzoxadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S517-1272 |
| Compound Name: | [1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidin-4-yl](4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C24 H31 N7 O4 S |
| Smiles: | C1CN(CCC1Cc1nncn1CC1CC1)C(C1CCN(CC1)S(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4988 |
| logD: | 2.4985 |
| logSw: | -2.5713 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 110.271 |
| InChI Key: | ORHSMBDOEUFKNX-UHFFFAOYSA-N |