N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Chemical Structure Depiction of
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Compound characteristics
| Compound ID: | C675-0100 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C24 H34 N6 O3 S |
| Smiles: | CCN1CCN(CCNC(CCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.79 |
| logD: | -0.0026 |
| logSw: | -2.2988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.631 |
| InChI Key: | SVBUGMZXKWUOHE-UHFFFAOYSA-N |