N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-ethyl-N-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-ethyl-N-(prop-2-en-1-yl)urea
N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-ethyl-N-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V009-0914 |
| Compound Name: | N-(2-{4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-ethyl-N-(prop-2-en-1-yl)urea |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C23 H28 Cl N3 O3 S |
| Smiles: | CCNC(N(CC=C)CC(N1CCc2c(ccs2)C1COc1ccc(c(C)c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8104 |
| logD: | 4.8104 |
| logSw: | -4.8817 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.305 |
| InChI Key: | BTWDKDMQSNVFOQ-FQEVSTJZSA-N |