N-[3-(azepan-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-(azepan-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-(azepan-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: | C675-0107 |
| Compound Name: | N-[3-(azepan-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: | 485.65 |
| Molecular Formula: | C25 H35 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCCCN3CCCCCC3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.258 |
| logD: | -0.3706 |
| logSw: | -2.9625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.425 |
| InChI Key: | ATVCGVWCDPGBBH-UHFFFAOYSA-N |