N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide
N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide
Compound characteristics
| Compound ID: | C659-0081 |
| Compound Name: | N-(2,2-dimethoxyethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | COC(CNC(CCCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.068 |
| logD: | 1.0679 |
| logSw: | -2.3666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.036 |
| InChI Key: | NGYSMZZZMMKFPS-UHFFFAOYSA-N |