ethyl 4-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperazine-1-carboxylate
					Chemical Structure Depiction of
ethyl 4-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperazine-1-carboxylate
			ethyl 4-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C675-0138 | 
| Compound Name: | ethyl 4-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperazine-1-carboxylate | 
| Molecular Weight: | 487.58 | 
| Molecular Formula: | C23 H29 N5 O5 S | 
| Smiles: | CCOC(N1CCN(CC1)C(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 1.8617 | 
| logD: | 1.8616 | 
| logSw: | -2.6757 | 
| Hydrogen bond acceptors count: | 10 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 81.971 | 
| InChI Key: | AECJWPBDVCAANY-UHFFFAOYSA-N | 
 
				 
				