5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(pyrrolidin-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-(pyrrolidin-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-(pyrrolidin-1-yl)propyl]pentanamide
Compound characteristics
| Compound ID: | C675-0106 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(pyrrolidin-1-yl)propyl]pentanamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C23 H31 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(NCCCN3CCCC3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.3978 |
| logD: | -1.6927 |
| logSw: | -2.374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.46 |
| InChI Key: | QJEVTVCCZFSXTH-UHFFFAOYSA-N |