8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | G651-0881 |
| Compound Name: | 8-(2H-1,3-benzodioxole-5-carbonyl)-3-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | COc1cccc(c1)C1C(NC2(CCN(CC2)C(c2ccc3c(c2)OCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9564 |
| logD: | 1.954 |
| logSw: | -2.7248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.897 |
| InChI Key: | XTZROAPKRIBXME-UHFFFAOYSA-N |