2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1197 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C24 H23 Cl N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4462 |
| logD: | 4.4462 |
| logSw: | -4.4796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.841 |
| InChI Key: | ULUBBLIQJQJPMF-UHFFFAOYSA-N |