ethyl 2-{[(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
327049-59-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc2c1CCCC2- InChIKey
SCJOQLFWIKXBMQ-UHFFFAOYSA-N- 분자식
- C24H23N3O3S2
- 평균 분자량
- 465.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-{[(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-{[(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C24H23N3O3S2
- 분자량
- 465.59
이름 및 동의어
ethyl 2-{[(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_214080Oprea1_622275STK374878AKOS001613143AK-968/37055121SR-01000410935SR-01000410935-1327049-59-2ethyl 2-(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)carbonyl]amino]-, ethyl ester
데이터베이스 식별자
- CAS
327049-59-2
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 704
물리화학적 성질
- 끓는 점
- 561 · 561.0±50.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.83 · 11.83±0.20(Predicted)
관련 반응
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