methyl 2-[(2-imino-8-methoxy-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-imino-8-methoxy-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-[(2-imino-8-methoxy-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y200-6342 |
| Compound Name: | methyl 2-[(2-imino-8-methoxy-2H-1-benzopyran-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | COC(c1c2CCCc2sc1NC(C1=Cc2cccc(c2OC1=N)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9561 |
| logD: | -1.2883 |
| logSw: | -3.6901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.137 |
| InChI Key: | DWFSNMXSMOGWER-UHFFFAOYSA-N |