6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]hexanamide
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | C659-0058 |
| Compound Name: | 6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | COc1ccc(CNC(CCCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0967 |
| logD: | 3.0967 |
| logSw: | -3.4156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.814 |
| InChI Key: | RBCRMEXNJRACSG-UHFFFAOYSA-N |