N-(4-acetamidophenyl)-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-acetamidophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-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: | G864-0228 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6736 |
| logD: | 2.6736 |
| logSw: | -3.1037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.391 |
| InChI Key: | SOOSMZZOOGJFLX-UHFFFAOYSA-N |