기본 정보
- CAS
318469-48-6- 표준 SMILES
CC(=O)OCc1c(C(F)(F)F)nn(C)c1SCc1ccc(Cl)cc1- InChIKey
IZDYFWBPMPIHBR-UHFFFAOYSA-N- 분자식
- C15H14ClF3N2O2S
- 평균 분자량
- 378.8 g/mol
- 단동위원소 질량
- 378.041661
이름 및 식별자
- 우선 이름
- [5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate
- IUPAC
- [5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate
- 영어명
- [5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]METHYL ACETATE
- 분자식
- C15H14ClF3N2O2S
- 분자량
- 378.8
이름 및 동의어
318469-48-6[5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl acetate[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate[5-{[(4-Chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetateSMR000125249MLS000539591CHEMBL1308462DTXSID201115672HMS2179M09AKOS0050923475G-384S
이름 더 보기
(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylacetate1H-Pyrazole-4-methanol, 5-[[(4-chlorophenyl)methyl]thio]-1-methyl-3-(trifluoromethyl)-, 4-acetate
데이터베이스 식별자
- CAS
318469-48-6- PubChem CID
- 1478807
- DTXSID
DTXSID201115672- ChEMBL
CHEMBL1308462
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 433
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