2-{[(4-bromophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1023 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C24 H18 Br N3 O2 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.3702 |
| logD: | 5.3702 |
| logSw: | -5.6979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.661 |
| InChI Key: | KOIISQWSQRZZKB-UHFFFAOYSA-N |