N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G864-0212 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4548 |
| logD: | 3.4548 |
| logSw: | -3.9016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.672 |
| InChI Key: | KKIJDVUXILLZTH-UHFFFAOYSA-N |