5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]pentanamide
Chemical Structure Depiction of
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]pentanamide
Compound characteristics
| Compound ID: | C675-0009 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(pyridin-2-yl)methyl]pentanamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCc3ccccn3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.7086 |
| logD: | 1.7083 |
| logSw: | -2.4768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.813 |
| InChI Key: | AUOZBWYNDNPZGH-UHFFFAOYSA-N |