N-(5-chloro-2,4-dimethoxyphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(5-chloro-2,4-dimethoxyphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1460 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C22 H24 Cl N3 O3 S |
| Smiles: | COc1cc(c(cc1NC(NCc1c2CCCCc2sc1n1cccc1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.4362 |
| logD: | 5.4354 |
| logSw: | -5.862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.402 |
| InChI Key: | JGJOANXEVQFXSF-UHFFFAOYSA-N |