2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4112-3789 |
| Compound Name: | 2-({2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 510.08 |
| Molecular Formula: | C26 H24 Cl N3 O2 S2 |
| Smiles: | Cc1cc(C(CSC2=Nc3c(C(N2CC=C)=O)c2CCCc2s3)=O)c(C)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7464 |
| logD: | 5.7464 |
| logSw: | -6.0489 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.122 |
| InChI Key: | KAFOVCXDAIAZNU-UHFFFAOYSA-N |