N-methyl-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-methyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-methyl-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: | G864-0174 |
| Compound Name: | N-methyl-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CNC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3731 |
| logD: | 1.3731 |
| logSw: | -2.3042 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.873 |
| InChI Key: | LLYRSOMIJIPXKA-UHFFFAOYSA-N |