methyl 2-(3-oxo-2-phenyl-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl)benzoate
Chemical Structure Depiction of
methyl 2-(3-oxo-2-phenyl-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl)benzoate
methyl 2-(3-oxo-2-phenyl-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl)benzoate
Compound characteristics
| Compound ID: | G651-0810 |
| Compound Name: | methyl 2-(3-oxo-2-phenyl-1,4,8-triazaspiro[4.5]dec-1-ene-8-sulfonyl)benzoate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | COC(c1ccccc1S(N1CCC2(CC1)NC(C(c1ccccc1)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2044 |
| logD: | 2.1996 |
| logSw: | -3.0563 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.474 |
| InChI Key: | GVMZOJOMTFWJOI-UHFFFAOYSA-N |