methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
					Chemical Structure Depiction of
methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
			methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1033 | 
| Compound Name: | methyl 4-chloro-2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate | 
| Molecular Weight: | 457.98 | 
| Molecular Formula: | C23 H24 Cl N3 O3 S | 
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1cc(ccc1C(=O)OC)[Cl])=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.4614 | 
| logD: | 5.4253 | 
| logSw: | -5.8012 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 58.478 | 
| InChI Key: | UXFHUTILIRGDNZ-AWEZNQCLSA-N | 
 
				 
				