기본 정보
- CAS
333789-46-1- 표준 SMILES
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1- InChIKey
QPQRWBABCUWYAD-UHFFFAOYSA-N- 분자식
- C19H19N5O4S
- 평균 분자량
- 413.5 g/mol
- 단동위원소 질량
- 413.11577528
이름 및 식별자
- 우선 이름
- 2-{[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(4-methoxybenzoyl)acetohydrazide
- IUPAC
- N'-[2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxybenzohydrazide
- 영어명
- 2-{[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(4-methoxybenzoyl)acetohydrazide
- 분자식
- C19H19N5O4S
- 분자량
- 413.45026
이름 및 동의어
MLS000714306SMR0002742862-{[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(4-methoxybenzoyl)acetohydrazideCHEMBL1310667BDBM53896cid_5430230AKOS000658056AB00589758-07AG-690/407566424-methoxy-N''-[2-[[4-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzohydrazide4-methoxy-N''-[2-[[4-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzohydrazide4-methoxy-N''-[2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
이름 더 보기
N''-[2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetyl]-4-methoxy-benzohydrazideN'-[2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxybenzohydrazide
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 553
화학 및 산업
공급사1 곳
SPECS[email protected]
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