기본 정보
- CAS
107703-70-8- 표준 SMILES
CCCCCCCCCCCCCCOc1ccc(NC(=O)c2cc(Oc3c(CSc4nnc(C)o4)c(C)nn3-c3ccccc3)c3ccccc3c2O)cc1- InChIKey
BJXBGDOWVVHOQF-UHFFFAOYSA-N- 분자식
- C45H53N5O5S
- 평균 분자량
- 776 g/mol
- 단동위원소 질량
- 775.37674098
이름 및 식별자
- 우선 이름
- 2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-[4-(tetradecyloxy)phenyl]-
- IUPAC
- 1-hydroxy-4-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1-phenylpyrazol-5-yl]oxy-N-(4-tetradecoxyphenyl)naphthalene-2-carboxamide
- 영어명
- 1-Hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-(4-tetradecyloxyphenyl)-2-naphthalenecarboxamide
- 분자량
- 0
이름 및 동의어
107703-70-82-Naphthalenecarboxamide, 1-hydroxy-4-((3-methyl-4-(((5-methyl-1,3,4-oxadiazol-2-yl)thio)methyl)-1-phenyl-1H-pyrazol-5-yl)oxy)-N-(4-(tetradecyloxy)phenyl)-2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-[4-(tetradecyloxy)phenyl]-RefChem:476399BJXBGDOWVVHOQF-UHFFFAOYSA-N1-hydroxy-4-[5-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-phenylpyrazol-3-yl]oxy-N-(4-tetradecoxyphenyl)naphthalene-2-carboxamide1-Hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-(4-tetradecyloxyphenyl)-2-naphthalenecarboxamide
데이터베이스 식별자
- CAS
107703-70-8- PubChem CID
- 14344729
- Nikkaji
- J364.792G
물성
구조 계산 물성
- XLogP
- 13.6
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,110
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2-Naphthalenecarboxamide, 1-hydroxy-4-[[3-methyl-4-[[(5-methyl-1,3,4-oxadiazol-2-yl)thio]methyl]-1-phenyl-1H-pyrazol-5-yl]oxy]-N-[4-(tetradecyloxy)phenyl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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