methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G864-0225 |
| Compound Name: | methyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5632 |
| logD: | 3.5631 |
| logSw: | -3.8732 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.302 |
| InChI Key: | CORLWTQDORZBJV-UHFFFAOYSA-N |