기본 정보
- CAS
702650-30-4- 표준 SMILES
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1- InChIKey
JTQGTGPEDGYOLL-UHFFFAOYSA-N- 분자식
- C20H20ClFN4O2S
- 평균 분자량
- 434.9 g/mol
- 단동위원소 질량
- 434.0979529
이름 및 식별자
- 우선 이름
- N-(3-chloro-4-fluorophenyl)-2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- IUPAC
- N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
이름 및 동의어
702650-30-4N-(3-Chloro-4-fluorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetamideN-(3-chloro-4-fluorophenyl)-2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(3-Chloro-4-fluorophenyl)-2-({4-ethyl-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamideDTXSID401111507STK136021AKOS000367900N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamideN-(3-chloro-4-fluorophenyl)-2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
데이터베이스 식별자
- CAS
702650-30-4- PubChem CID
- 2202495
- DTXSID
DTXSID401111507
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 94.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 527
관련 반응
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