Ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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기본 정보
- CAS
297762-55-1- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2- InChIKey
BKLWXWIHVBSGMS-UHFFFAOYSA-N- 분자식
- C25H26N2O5S2
- 평균 분자량
- 498.6 g/mol
- 단동위원소 질량
- 498.12831428
이름 및 식별자
- 우선 이름
- Ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-(2-((4-methylphenyl)sulfonamido)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
- 분자식
- C25H26N2O5S2
- 분자량
- 498.61
이름 및 동의어
297762-55-1ethyl 2-(2-(4-methylphenylsulfonamido)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateETHYL 2-[2-(4-METHYLBENZENESULFONAMIDO)BENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEF0325-0172ethyl 2-{[(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_211967Oprea1_320244SMSSF-0044850STK365242AKOS000541150EU-0070751
이름 더 보기
ethyl 2-(2-((4-methylphenyl)sulfonamido)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[[(4-methylphenyl)sulfonyl]amino]benzoyl]amino]-, ethyl ester
ST50244139AE-848/34956004SR-01000425687SR-01000425687-1ethyl 2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)carbonylamino]-4,5,6,7-tet rahydrobenzo[b]thiophene-3-carboxylateoxo[o-(N-3-ethoxycarbonyl-1-thia-4,5,6,7-tetrahydro-2-indenylcarbamoyl)phenylamino]-p-tolyl-lambda-sulfaniumolate
물성
구조 계산 물성보충 중
- XLogP
- 6.2
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 822
물리화학적 성질
- 밀도
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.88 · 7.88±0.10(Predicted)
관련 반응
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