2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
Compound ID: | F288-0108 |
Compound Name: | 2-{[3-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
Molecular Weight: | 513.5 |
Molecular Formula: | C25 H29 Br N4 O S |
Smiles: | CCc1ccc(cc1)NC(CSC1C(c2ccc(cc2)[Br])=NC2(CCN(CC)CC2)N=1)=O |
Stereo: | ACHIRAL |
logP: | 5.2358 |
logD: | 2.5936 |
logSw: | -4.9917 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.767 |
InChI Key: | NKKONPCRFQXWFV-UHFFFAOYSA-N |