methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0622 |
| Compound Name: | methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 409.91 |
| Molecular Formula: | C17 H16 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.323 |
| logD: | -0.5441 |
| logSw: | -4.6352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.17 |
| InChI Key: | UHOKASKDFMBXAQ-UHFFFAOYSA-N |