N'-tert-butyl-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)urea
N'-tert-butyl-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V024-7349 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)urea |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Smiles: | Cc1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC=C)C(NC(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9941 |
| logD: | 4.9941 |
| logSw: | -4.4202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.503 |
| InChI Key: | MDMMSFTZNDEFJH-NRFANRHFSA-N |