2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F288-0069 |
| Compound Name: | 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 485.44 |
| Molecular Formula: | C23 H25 Br N4 O S |
| Smiles: | Cc1cccc(c1)NC(CSC1C(c2ccc(cc2)[Br])=NC2(CCN(C)CC2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0052 |
| logD: | 1.5164 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.707 |
| InChI Key: | JTCLWYWJRXDCMF-UHFFFAOYSA-N |