N-(2-methoxy-5-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(2-methoxy-5-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1489 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(NCc1c2CCCCc2sc1n1cccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9743 |
| logD: | 4.9743 |
| logSw: | -4.6386 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.771 |
| InChI Key: | KHXLXMKWHLNRQG-UHFFFAOYSA-N |