methyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8019-0949 |
| Compound Name: | methyl 2-[(2-acetamido-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C17 H21 F3 N2 O5 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1c(C(=O)OC)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3065 |
| logD: | 2.1194 |
| logSw: | -3.6593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.091 |
| InChI Key: | MXBXYOPOMNKEEH-MRXNPFEDSA-N |