4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | S517-0513 |
| Compound Name: | 4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-sulfonyl)-2,1,3-benzothiadiazole |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C18 H22 N6 O2 S2 |
| Smiles: | C1CN(CCC1Cc1nncn1CC1CC1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5576 |
| logD: | 2.5575 |
| logSw: | -2.6072 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.486 |
| InChI Key: | NRBBQVODFYZLBB-UHFFFAOYSA-N |