3-[5-(3,5-dimethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[5-(3,5-dimethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[5-(3,5-dimethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0151 |
| Compound Name: | 3-[5-(3,5-dimethylpiperidin-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2392 |
| logD: | 3.2391 |
| logSw: | -3.6493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.058 |
| InChI Key: | STWUSXGWZZIMSJ-UHFFFAOYSA-N |