[3-amino-5-(4-methylanilino)-4-(4-methylbenzene-1-sulfonyl)thiophen-2-yl](2H-1,3-benzodioxol-5-yl)methanone
Chemical Structure Depiction of
[3-amino-5-(4-methylanilino)-4-(4-methylbenzene-1-sulfonyl)thiophen-2-yl](2H-1,3-benzodioxol-5-yl)methanone
[3-amino-5-(4-methylanilino)-4-(4-methylbenzene-1-sulfonyl)thiophen-2-yl](2H-1,3-benzodioxol-5-yl)methanone
Compound characteristics
| Compound ID: | G613-0143 |
| Compound Name: | [3-amino-5-(4-methylanilino)-4-(4-methylbenzene-1-sulfonyl)thiophen-2-yl](2H-1,3-benzodioxol-5-yl)methanone |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C26 H22 N2 O5 S2 |
| Smiles: | Cc1ccc(cc1)Nc1c(c(c(C(c2ccc3c(c2)OCO3)=O)s1)N)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9316 |
| logD: | 5.9316 |
| logSw: | -5.5203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.415 |
| InChI Key: | JCUCGPSCOXXAHZ-UHFFFAOYSA-N |