N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(butan-2-yl)-N~2~-(4-chlorobenzene-1-sulfonyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(butan-2-yl)-N~2~-(4-chlorobenzene-1-sulfonyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(butan-2-yl)-N~2~-(4-chlorobenzene-1-sulfonyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V009-1059 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(butan-2-yl)-N~2~-(4-chlorobenzene-1-sulfonyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 549.11 |
| Molecular Formula: | C26 H29 Cl N2 O5 S2 |
| Smiles: | CCC(C)N(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7315 |
| logD: | 5.7315 |
| logSw: | -5.8669 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.798 |
| InChI Key: | RVWKHAYUKOSFFF-IBGZPJMESA-N |