5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(3-methylthiophen-2-yl)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-methylthiophen-2-yl)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-methylthiophen-2-yl)ethyl]pentanamide
Compound characteristics
| Compound ID: | C200-2613 |
| 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-methylthiophen-2-yl)ethyl]pentanamide |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C23 H26 N4 O3 S2 |
| Smiles: | Cc1ccsc1CCNC(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8158 |
| logD: | 2.8157 |
| logSw: | -3.2552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.13 |
| InChI Key: | MEXYFACRVORISQ-UHFFFAOYSA-N |