기본 정보
- CAS
1189316-26-4- 표준 SMILES
Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)n[nH]2)c(O)c1- InChIKey
NJZIWAQXADINAD-UHFFFAOYSA-N- 분자식
- C16H17N5O2S
- 평균 분자량
- 343.4 g/mol
- 단동위원소 질량
- 343.11029598
이름 및 식별자
- 우선 이름
- 3-(2-hydroxy-4-methylphenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-(2-hydroxy-4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- 영어명
- 3-(2-hydroxy-4-methylphenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- 분자식
- C16H17N5O2S
- 분자량
- 343.4
이름 및 동의어
3-(2-hydroxy-4-methylphenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide1189316-26-4STK573850STK820606AKOS002251269AKOS0054985543-(2-hydroxy-4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide(5Z)-5-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide3-(2-hydroxy-4-methylphenyl)-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1H-pyrazole-5-carboxamide3-(2-hydroxy-4-methylphenyl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-5-carboxamide1H-Pyrazole-3-carboxamide, 5-(2-hydroxy-4-methylphenyl)-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-
데이터베이스 식별자
- CAS
1189316-26-4- PubChem CID
- 1969298
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 452
물리화학적 성질
- 밀도
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.39 · 6.39±0.50(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
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