methyl 4-(3-{[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
methyl 4-(3-{[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3993-2104 |
| Compound Name: | methyl 4-(3-{[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | Cc1cc(C(CSc2c3c4CCCc4sc3ncn2)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2909 |
| logD: | 5.2909 |
| logSw: | -5.457 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.385 |
| InChI Key: | BPHXMZSYXYIRMW-UHFFFAOYSA-N |