methyl 4-{2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8007-0762 |
| Compound Name: | methyl 4-{2-[2-(azepan-1-yl)-2-oxoethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CC1=C(C(c2ccccc2OCC(N2CCCCCC2)=O)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4768 |
| logD: | 2.4607 |
| logSw: | -2.8647 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.886 |
| InChI Key: | PMTLMFMMEPXHOP-LJQANCHMSA-N |