2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0184 |
| Compound Name: | 2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 313.42 |
| Molecular Formula: | C17 H19 N3 O S |
| Smiles: | CCCCSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1152 |
| logD: | 4.1152 |
| logSw: | -4.1119 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.251 |
| InChI Key: | GTZNDIIZHDMWPJ-UHFFFAOYSA-N |