rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0348 |
| Compound Name: | rel-(5R,8S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(Nc2ccc3c(c2)OCCO3)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0218 |
| logD: | 1.0218 |
| logSw: | -2.0346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.161 |
| InChI Key: | SIKYTPBGZWKUAD-CJNGLKHVSA-N |