N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V005-5836 |
| Compound Name: | N-(2-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Smiles: | CC(C)NC(N(CC=C)CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3719 |
| logD: | 5.3719 |
| logSw: | -5.3418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.74 |
| InChI Key: | INNCPWBUNKBGQC-NRFANRHFSA-N |