기본 정보
- CAS
445383-13-1- 표준 SMILES
CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)c(C#N)c1C- InChIKey
RSKJKNLLFZOYKR-UHFFFAOYSA-N- 분자식
- C22H22N4O3S2
- 평균 분자량
- 454.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4-cyano-5-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
- IUPAC
- ethyl 4-cyano-5-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
- 영어명
- ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate
- 분자식
- C22H22N4O3S2
- 분자량
- 454.57
이름 및 동의어
445383-13-1ethyl 4-cyano-5-(2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamido)-3-methylthiophene-2-carboxylateSMR000147504ethyl 4-cyano-5-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylateMLS000555987CHEMBL1440137HMS2327G05STK546590AKOS003679598AM-807/141472844-Cyano-5-[2-(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-ylsulfanyl)-acetylamino]-3-methyl-t hiophene-2-carboxylic acid ethyl esterethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methyl-2-thiophenecarboxylate
이름 더 보기
2-Thiophenecarboxylic acid, 4-cyano-5-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]acetyl]amino]-3-methyl-, ethyl ester
ethyl 4-cyano-5-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-3-methylthiophene-2-carboxylate
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 760
물리화학적 성질
- 끓는 점
- 674.8 · 674.8±55.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.96 · 10.96±0.70(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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