N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(propan-2-yl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(propan-2-yl)urea
N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V020-9088 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(propan-2-yl)urea |
| Molecular Weight: | 492.08 |
| Molecular Formula: | C25 H34 Cl N3 O3 S |
| Smiles: | CC(C)N(CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0889 |
| logD: | 6.0889 |
| logSw: | -6.1946 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.268 |
| InChI Key: | YYZWKZQHVBNKNF-NRFANRHFSA-N |