2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
Compound ID: | M060-0507 |
Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide |
Molecular Weight: | 457.35 |
Molecular Formula: | C20 H17 Br N4 O2 S |
Smiles: | Cc1ccc(c(c1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O)OC |
Stereo: | ACHIRAL |
logP: | 3.9506 |
logD: | 3.9497 |
logSw: | -4.0618 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.582 |
InChI Key: | QAXIRLQDYMXGGS-UHFFFAOYSA-N |