rel-(1R,5S)-3-(2,1,3-benzothiadiazole-4-sulfonyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
Chemical Structure Depiction of
rel-(1R,5S)-3-(2,1,3-benzothiadiazole-4-sulfonyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
rel-(1R,5S)-3-(2,1,3-benzothiadiazole-4-sulfonyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
Compound characteristics
| Compound ID: | S301-0654 |
| Compound Name: | rel-(1R,5S)-3-(2,1,3-benzothiadiazole-4-sulfonyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C13 H16 N4 O3 S2 |
| Smiles: | CN1C[C@H]2CN(C[C@@H](C1)O2)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.6994 |
| logD: | 0.6615 |
| logSw: | -1.9114 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.581 |
| InChI Key: | PFPCALFVOSQCSA-UWVGGRQHSA-N |