N-[2-(dimethylamino)ethyl]-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-[2-(dimethylamino)ethyl]-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-6391 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(c1cccc(CSc2nc(COC)cc(n2)N2CCCC2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0051 |
| logD: | 2.1658 |
| logSw: | -3.3905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.853 |
| InChI Key: | RRFROECXGKVZAT-UHFFFAOYSA-N |