Ethyl 4-cyano-5-[({[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]-3-methyl-2-thiophenecarboxylate
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기본 정보
- CAS
445266-13-7- 표준 SMILES
CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)c(C#N)c1C- InChIKey
UDOSOFUBPGWONI-UHFFFAOYSA-N- 분자식
- C27H19FN4O3S3
- 평균 분자량
- 562.7 g/mol
- 단동위원소 질량
- 562.06033216
이름 및 식별자
- 우선 이름
- Ethyl 4-cyano-5-[({[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]-3-methyl-2-thiophenecarboxylate
- IUPAC
- ethyl 4-cyano-5-[[2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
- 영어명
- ethyl 4-cyano-5-[({[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]-3-methyl-2-thiophenecarboxylate
- 분자식
- C27H19FN4O3S3
- 분자량
- 562.66
이름 및 동의어
ethyl 4-cyano-5-[({[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}acetyl)amino]-3-methyl-2-thiophenecarboxylateAM-807/12740206STK545087AKOS003681066ethyl 4-cyano-5-[[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetyl]amino]-3-methylthiophene-2-carboxylateethyl 4-cyano-5-(2-((3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)acetamido)-3-methylthiophene-2-carboxylateethyl 4-cyano-5-[({[3-cyano-4-(4-fluorophenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 4-cyano-5-[[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]acetyl]amino]-3-methyl-, ethyl ester
데이터베이스 식별자
- CAS
445266-13-7- PubChem CID
- 1552487
물성
구조 계산 물성보충 중
- XLogP
- 6.6
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 946
물리화학적 성질
- 끓는 점
- 768.1 · 768.1±60.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.09 · 11.09±0.70(Predicted)
관련 반응
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