N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea
Compound characteristics
| Compound ID: | D577-0162 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(4-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)urea |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | Cc1cc(Nc2ccc(cc2)NC(Nc2ccc3c(c2)OCCO3)=O)nc(n1)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4421 |
| logD: | 4.116 |
| logSw: | -4.2313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.967 |
| InChI Key: | NCLUREKXXWVVLM-UHFFFAOYSA-N |