5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3-methylphenyl)ethyl]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-[2-(3-methylphenyl)ethyl]pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3-methylphenyl)ethyl]pentanamide
Compound characteristics
| Compound ID: | C675-0133 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3-methylphenyl)ethyl]pentanamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | Cc1cccc(CCNC(CCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9838 |
| logD: | 2.9837 |
| logSw: | -3.3354 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.111 |
| InChI Key: | XEBQCYYPNOTMAC-UHFFFAOYSA-N |