N-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-[(4-fluorophenyl)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: | C675-0033 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C23 H23 F N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCc3ccc(cc3)F)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.6475 |
| logD: | 2.6474 |
| logSw: | -3.1569 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.27 |
| InChI Key: | CRORXQZPWNHWCP-UHFFFAOYSA-N |