N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | C675-0056 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCc3ccc4c(c3)OCO4)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.5316 |
| logD: | 2.5315 |
| logSw: | -2.997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.385 |
| InChI Key: | XFZHRZVALGERTI-UHFFFAOYSA-N |