N-benzyl-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
N-benzyl-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
Compound characteristics
| Compound ID: | E972-0557 |
| Compound Name: | N-benzyl-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | COc1ccc(cc1)C1C(=NC2(CCN(CC2)C(NCc2ccccc2)=O)N=1)SC |
| Stereo: | ACHIRAL |
| logP: | 2.9308 |
| logD: | 2.9308 |
| logSw: | -3.4442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.495 |
| InChI Key: | VCDWZKCJWWYBSZ-UHFFFAOYSA-N |