1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dichlorobenzene-1-sulfonyl)-3-methyl-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dichlorobenzene-1-sulfonyl)-3-methyl-1,4,8-triazaspiro[4.5]decan-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dichlorobenzene-1-sulfonyl)-3-methyl-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V025-0699 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(3,4-dichlorobenzene-1-sulfonyl)-3-methyl-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 512.41 |
| Molecular Formula: | C22 H23 Cl2 N3 O5 S |
| Smiles: | CC1C(N(Cc2ccc3c(c2)OCO3)C2(CCN(CC2)S(c2ccc(c(c2)[Cl])[Cl])(=O)=O)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0624 |
| logD: | 4.0415 |
| logSw: | -4.3502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.891 |
| InChI Key: | VMCWGCOJKBPMHB-AWEZNQCLSA-N |