methyl 2-({benzyl[2-hydroxy-3-(2-methylphenoxy)propyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-({benzyl[2-hydroxy-3-(2-methylphenoxy)propyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 2-({benzyl[2-hydroxy-3-(2-methylphenoxy)propyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V007-9752 |
| Compound Name: | methyl 2-({benzyl[2-hydroxy-3-(2-methylphenoxy)propyl]amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1OCC(CN(CC1NC(c2c(C)c(C(=O)OC)sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3154 |
| logD: | 4.3119 |
| logSw: | -4.4715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.894 |
| InChI Key: | RAPCZEAFYNCFEV-FQEVSTJZSA-N |