4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)butanamide
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | C664-0052 |
| Compound Name: | 4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(NCCc3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.879 |
| logD: | 1.8789 |
| logSw: | -2.7058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.111 |
| InChI Key: | VUILKYXNNRCGKZ-UHFFFAOYSA-N |