3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
					Chemical Structure Depiction of
3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
			3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8004-7969 | 
| Compound Name: | 3-{[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | 
| Molecular Weight: | 429.41 | 
| Molecular Formula: | C18 H15 N5 O6 S | 
| Smiles: | CC1=Nc2c(C(N1/N=C/c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=O)c1CCCCc1s2 | 
| Stereo: | ACHIRAL | 
| logP: | 3.536 | 
| logD: | 0.3073 | 
| logSw: | -4.076 | 
| Hydrogen bond acceptors count: | 13 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 116.565 | 
| InChI Key: | FNEULFGAFKMJMJ-UHFFFAOYSA-N | 
 
				 
				