2-((5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,5-dimethylphenyl)acetamide
기본 정보
- CAS
332947-79-2- 표준 SMILES
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccc(Cl)cc2)cc1- InChIKey
VJVDPTPWUBWILM-UHFFFAOYSA-N- 분자식
- C25H23ClN4OS
- 평균 분자량
- 463 g/mol
- 단동위원소 질량
- 462.1281102
이름 및 식별자
- 우선 이름
- 2-((5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,5-dimethylphenyl)acetamide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
- 영어명
- SALOR-INT L226831-1EA
- 분자식
- C25H23ClN4OS
- 분자량
- 462.99
이름 및 동의어
332947-79-22-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide2-((5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,5-dimethylphenyl)acetamideRefChem:449515647-876-62-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,5-dimethylphenyl)acetamideZINC2262663MFCD02739538STK727652ZINC02262663AKOS000583449ZINC000002262663
이름 더 보기
SALOR-INT L226831-1EAAcetamide, 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethylphenyl)-2-([5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
ST50062973AG-690/407508952((5(4chlorophenyl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N(25dimethylphenyl)acetamide2((5(4CHLOROPHENYL)4(PTOLYL)4H124TRIAZOL3YL)THIO)N(25DIMETHYLPHENYL)ACETAMIDECC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)ClN(25DIMETHYLPHENYL)2(5(4CHLOROPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(25DIMETHYLPHENYL)ACETAMIDEN-(2,5-dimethylphenyl)-2-[5-(4-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol- 3-ylthio)]acetamide
데이터베이스 식별자
- CAS
332947-79-2- PubChem CID
- 1890061
- EC Number
- 647-876-6
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 85.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 609
물리화학적 성질
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.89 · 12.89±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
관련 반응
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