5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide
Chemical Structure Depiction of
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide
Compound characteristics
| Compound ID: | C675-0057 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCCCN3CCCC3=O)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 0.2834 |
| logD: | 0.2833 |
| logSw: | -2.2634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.623 |
| InChI Key: | COEXKDRTGOJZIX-UHFFFAOYSA-N |