N-[3-(2-ethylpiperidin-1-yl)propyl]-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-[3-(2-ethylpiperidin-1-yl)propyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-[3-(2-ethylpiperidin-1-yl)propyl]-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: | C675-0097 |
| Compound Name: | N-[3-(2-ethylpiperidin-1-yl)propyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 499.68 |
| Molecular Formula: | C26 H37 N5 O3 S |
| Smiles: | CCC1CCCCN1CCCNC(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4774 |
| logD: | -0.4476 |
| logSw: | -2.9052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.906 |
| InChI Key: | NNBBJEOQUSYCLI-SFHVURJKSA-N |