3-{2-[(2-amino-2-oxoethyl)sulfanyl]-8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl}propanoic acid
Chemical Structure Depiction of
3-{2-[(2-amino-2-oxoethyl)sulfanyl]-8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl}propanoic acid
3-{2-[(2-amino-2-oxoethyl)sulfanyl]-8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl}propanoic acid
Compound characteristics
| Compound ID: | C200-2298 |
| Compound Name: | 3-{2-[(2-amino-2-oxoethyl)sulfanyl]-8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl}propanoic acid |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C16 H16 N4 O5 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCC(O)=O)C(=N1)SCC(N)=O)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | -0.2828 |
| logD: | -2.8154 |
| logSw: | -1.9971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.566 |
| InChI Key: | JZZZEPDYNGNWLM-UHFFFAOYSA-N |