5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]pentanamide
Chemical Structure Depiction of
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]pentanamide
Compound characteristics
| Compound ID: | C675-0063 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]pentanamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | COc1ccc(CNC(CCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6008 |
| logD: | 2.6007 |
| logSw: | -3.1345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.814 |
| InChI Key: | QLPOVKGNCLCHRA-UHFFFAOYSA-N |