1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V024-9922 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 518.01 |
| Molecular Formula: | C29 H28 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | C(C1C(N(Cc2ccc3c(c2)OCO3)C2(CCN(CC2)C(c2ccc(cc2)[Cl])=O)N1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2948 |
| logD: | 4.2472 |
| logSw: | -4.7512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.164 |
| InChI Key: | ROWUFPIUHMRNCD-XMMPIXPASA-N |