N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-bromobenzene-1-sulfonyl)amino]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-bromobenzene-1-sulfonyl)amino]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-bromobenzene-1-sulfonyl)amino]methyl}benzamide
Compound characteristics
| Compound ID: | K783-0145 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-bromobenzene-1-sulfonyl)amino]methyl}benzamide |
| Molecular Weight: | 503.37 |
| Molecular Formula: | C22 H19 Br N2 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CNS(c2ccc(cc2)[Br])(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1381 |
| logD: | 4.1379 |
| logSw: | -4.3937 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.525 |
| InChI Key: | QSSWIRWOUXRPNR-UHFFFAOYSA-N |