N-(2H-1,3-benzodioxol-5-yl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | M060-0457 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
Molecular Weight: | 457.3 |
Molecular Formula: | C19 H13 Br N4 O3 S |
Smiles: | C1Oc2ccc(cc2O1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O |
Stereo: | ACHIRAL |
logP: | 3.9468 |
logD: | 3.9459 |
logSw: | -4.2168 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.765 |
InChI Key: | LFCFAADGAQHGLO-UHFFFAOYSA-N |