6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanoic acid
Chemical Structure Depiction of
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanoic acid
6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanoic acid
Compound characteristics
| Compound ID: | 8018-3366 |
| Compound Name: | 6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanoic acid |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCCC(O)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.8285 |
| logD: | -0.9997 |
| logSw: | -2.4523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.454 |
| InChI Key: | BUGVYNLSNLCGQG-UHFFFAOYSA-N |