N-(butan-2-yl)-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(3-chlorophenyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(3-chlorophenyl)urea
N-(butan-2-yl)-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(3-chlorophenyl)urea
Compound characteristics
| Compound ID: | V012-0609 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(3-chlorophenyl)urea |
| Molecular Weight: | 560.54 |
| Molecular Formula: | C28 H31 Cl2 N3 O3 S |
| Smiles: | CCC(C)N(CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6404 |
| logD: | 7.6404 |
| logSw: | -6.4979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.435 |
| InChI Key: | HPWMAFWBLCTBFI-UHFFFAOYSA-N |