6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide
Compound characteristics
| Compound ID: | C659-0112 |
| Compound Name: | 6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | Cc1ccc(CCNC(CCCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3125 |
| logD: | 3.3124 |
| logSw: | -3.6096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.111 |
| InChI Key: | NITOVCTUELVFLY-UHFFFAOYSA-N |