N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}urea
N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}urea
Compound characteristics
| Compound ID: | V012-0656 |
| Compound Name: | N-(butan-2-yl)-N'-(3-chlorophenyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}urea |
| Molecular Weight: | 512.07 |
| Molecular Formula: | C27 H30 Cl N3 O3 S |
| Smiles: | CCC(C)N(CC(N1CCc2c(ccs2)C1COc1ccccc1)=O)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3325 |
| logD: | 6.3325 |
| logSw: | -6.0132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.435 |
| InChI Key: | KSUXKXJDMDAORP-UHFFFAOYSA-N |