3-[5-(azepan-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[5-(azepan-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-[5-(azepan-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0152 |
| Compound Name: | 3-[5-(azepan-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(N3CCCCCC3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.8198 |
| logD: | 2.8197 |
| logSw: | -3.4142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.522 |
| InChI Key: | AQIAIXYSQQQBKA-UHFFFAOYSA-N |