methyl 2,4-dimethyl-5-{[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2,4-dimethyl-5-{[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
methyl 2,4-dimethyl-5-{[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4196 |
| Compound Name: | methyl 2,4-dimethyl-5-{[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)c(C)[nH]c1C(CSc1c2c3CCCc3sc2nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2626 |
| logD: | 4.2624 |
| logSw: | -4.5447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.076 |
| InChI Key: | ZZIYEILDQAGPME-UHFFFAOYSA-N |