N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine
Compound characteristics
| Compound ID: | C848-0472 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylbenzene-1-sulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-amine |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C21 H22 N2 O6 S3 |
| Smiles: | CCCS(c1nc(c(NCc2ccc3c(c2)OCO3)s1)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2535 |
| logD: | 4.2535 |
| logSw: | -4.2496 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.227 |
| InChI Key: | NKKMSMKXBJEYJR-UHFFFAOYSA-N |