Ethyl 5,5-dimethyl-2-[(2-oxochromene-3-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
기본 정보
- CAS
373375-67-8- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC(C)(C)OC2- InChIKey
BMDQRDKFPBHTDD-UHFFFAOYSA-N- 분자식
- C22H21NO6S
- 평균 분자량
- 427.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5,5-dimethyl-2-[(2-oxochromene-3-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
- IUPAC
- ethyl 5,5-dimethyl-2-[(2-oxochromene-3-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
- 영어명
- ethyl 5,5-dimethyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
- 분자식
- C22H21NO6S
- 분자량
- 427.47
이름 및 동의어
373375-67-8ethyl 5,5-dimethyl-2-(2-oxo-2H-chromene-3-carboxamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylateethyl 5,5-dimethyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylateCDS1_002025ChemDiv1_008425Oprea1_209410Oprea1_252353ethyl 5,5-dimethyl-2-[(2-oxochromene-3-carbonyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylateDivK1c_003065HMS610O21STK831314AKOS000549352
이름 더 보기
5H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-5,5-dimethyl-2-[[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, ethyl ester
EU-0042411ST50269048AJ-292/41083294SR-01000470384SR-01000470384-1ETHYL 5,5-DIMETHYL-2-(2-OXO-2H-CHROMENE-3-AMIDO)-4H,5H,7H-THIENO[2,3-C]PYRAN-3-CARBOXYLATEethyl 5,5-dimethyl-2-[(2-oxochromen-3-yl)carbonylamino]-4,5-dihydro-7H-thiophe no[2,3-c]pyran-3-carboxylate
데이터베이스 식별자
- CAS
373375-67-8
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 750
물리화학적 성질
- 끓는 점
- 688.9 · 688.9±55.0 °C(Predicted)
- 밀도
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.92 · 10.92±0.40(Predicted)
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