methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
					Chemical Structure Depiction of
methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
			methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 3993-1733 | 
| Compound Name: | methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate | 
| Molecular Weight: | 469.58 | 
| Molecular Formula: | C23 H23 N3 O4 S2 | 
| Smiles: | COC(c1ccc(cc1)NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.4704 | 
| logD: | 4.4704 | 
| logSw: | -4.4592 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 70.167 | 
| InChI Key: | QRODYTLUJKJMIU-UHFFFAOYSA-N | 
 
				 
				