methyl 5-({[5-(3,4-dimethoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(3,4-dimethoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-({[5-(3,4-dimethoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4052-3090 |
| Compound Name: | methyl 5-({[5-(3,4-dimethoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C27 H27 N3 O6 S2 |
| Smiles: | Cc1c(C(=O)OC)c(C)[nH]c1C(CSC1=Nc2c(C(N1CC=C)=O)c(cs2)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3128 |
| logD: | 4.3128 |
| logSw: | -4.4897 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.315 |
| InChI Key: | ABTQBOPFHMUBBB-UHFFFAOYSA-N |