rel-(5R,8S)-10-(2,1,3-benzothiadiazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(2,1,3-benzothiadiazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(2,1,3-benzothiadiazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0311 |
| Compound Name: | rel-(5R,8S)-10-(2,1,3-benzothiadiazole-4-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C16 H15 N5 O2 S2 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3S(c2cccc3c2nsn3)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8901 |
| logD: | 1.8901 |
| logSw: | -2.2896 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.087 |
| InChI Key: | BEUPKQBRLUBSOE-YGRLFVJLSA-N |