methyl 2-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-6547 |
| Compound Name: | methyl 2-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | CC1CCc2c(C1)c(C(Nc1c(C(=O)OC)c3CCCCCc3s1)=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.609 |
| logD: | 1.3999 |
| logSw: | -4.4376 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.949 |
| InChI Key: | XMFVFNXVUKSREM-LLVKDONJSA-N |