N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1429 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(CNC(Nc1ccc3c(c1)OCCO3)=O)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.109 |
| logD: | 4.109 |
| logSw: | -4.2597 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.662 |
| InChI Key: | QSVRZHNUPHDEOW-UHFFFAOYSA-N |