N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-[1-(methanesulfonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-[1-(methanesulfonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-[1-(methanesulfonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | SA01-0213 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-[1-(methanesulfonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C20 H25 N5 O5 S |
| Smiles: | CN(C)c1ncc(C(Nc2ccc3c(c2)OCCO3)=O)c(C2CCN(C2)S(C)(=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9811 |
| logD: | 0.9501 |
| logSw: | -2.501 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.251 |
| InChI Key: | IDKDPOAJMCNLSX-CYBMUJFWSA-N |