N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | C200-7830 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C23 H22 N4 O6 |
| Smiles: | COc1cc2c3c(C(N(CCC(NCc4ccc5c(c4)OCO5)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.389 |
| logD: | 1.389 |
| logSw: | -2.1655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.123 |
| InChI Key: | TUURJIDLMGMCEW-UHFFFAOYSA-N |