기본 정보
- CAS
370854-91-4- 표준 SMILES
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)C1c1cccs1- InChIKey
BXNCVLHDIJOFGI-UHFFFAOYSA-N- 분자식
- C25H24ClN3O5S2
- 평균 분자량
- 546.1 g/mol
- 단동위원소 질량
- 545.0845909
이름 및 식별자
- 우선 이름
- Prop-2-enyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
- IUPAC
- prop-2-enyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
- 영어명
- allyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
- 분자식
- C25H24ClN3O5S2
- 분자량
- 546.06
이름 및 동의어
370854-91-4prop-2-enyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylateChemDiv1_028740Oprea1_415359Oprea1_530232AE-848/40938207HMS668K08STK538648AKOS001644709AKOS021997392SR-01000484814SR-01000484814-1
이름 더 보기
3-Pyridinecarboxylic acid, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-thienyl)-, 2-propen-1-yl ester
allyl 6-((2-((4-chloro-2,5-dimethoxyphenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylateallyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylateprop-2-en-1-yl 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 963
물리화학적 성질
- 끓는 점
- 709.3 · 709.3±60.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.99 · 11.99±0.70(Predicted)
화학 및 산업
공급사3 곳
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