(4-tert-butylphenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
(4-tert-butylphenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone
Compound characteristics
| Compound ID: | C915-0131 |
| Compound Name: | (4-tert-butylphenyl)(8-ethyl-3-phenyl-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-en-1-yl)methanone |
| Molecular Weight: | 433.62 |
| Molecular Formula: | C26 H31 N3 O S |
| Smiles: | CCN1CCC2(CC1)N=C(C(N2C(c1ccc(cc1)C(C)(C)C)=O)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1324 |
| logD: | 2.3683 |
| logSw: | -4.9496 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 27.3417 |
| InChI Key: | XMADOXUAXDRFBI-UHFFFAOYSA-N |