rel-(5R,8S)-10-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0379 |
| Compound Name: | rel-(5R,8S)-10-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3S(c2ccc3c(c2)OCCO3)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9828 |
| logD: | 0.9828 |
| logSw: | -2.2351 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.957 |
| InChI Key: | UXMGKAWQAASHCX-WBMJQRKESA-N |