3-methyl-N-[(4-methylphenyl)methyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
3-methyl-N-[(4-methylphenyl)methyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
3-methyl-N-[(4-methylphenyl)methyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | G016-1012 |
| Compound Name: | 3-methyl-N-[(4-methylphenyl)methyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C22 H24 N2 O5 S2 |
| Smiles: | CC1=C(C(NCc2ccc(C)cc2)=O)C2(CCN(CC2)S(c2cccs2)(=O)=O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9681 |
| logD: | 2.968 |
| logSw: | -3.5174 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.015 |
| InChI Key: | AUCXDBIHEDCEAV-UHFFFAOYSA-N |