기본 정보
- CAS
347352-28-7- 표준 SMILES
CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc(C(=O)N(CC)CC)c1C- InChIKey
ZBVCYIRYQOIMJD-UHFFFAOYSA-N- 분자식
- C22H28N2O5S
- 평균 분자량
- 432.5 g/mol
- 단동위원소 질량
- 432.17189317
이름 및 식별자
- 우선 이름
- Ethyl 5-(diethylcarbamoyl)-4-methyl-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylate
- IUPAC
- ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
- 영어명
- ethyl 5-[(diethylamino)carbonyl]-4-methyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
- 분자식
- C22H28N2O5S
- 분자량
- 432.53
이름 및 동의어
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[2-(2-methylphenoxy)acetamido]thiophene-3-carboxylateethyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2-methylphenoxy)acetyl]amino}thiophene-3-carboxylateOprea1_097657HMS3536N05STK050500AKOS002125424ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylateST052505AG-205/40775540SR-01000585277SR-01000585277-1ethyl 5-(diethylcarbamoyl)-4-methyl-2-(2-(o-tolyloxy)acetamido)thiophene-3-carboxylate
이름 더 보기
3-Thiophenecarboxylic acid, 5-[(diethylamino)carbonyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-, ethyl ester
347352-28-7ethyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-[2-(2-methylphenoxy)acetylamino]thio phene-3-carboxylateethyl 5-[(diethylamino)carbonyl]-4-methyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 598
물리화학적 성질
- 끓는 점
- 650.3 · 650.3±55.0 °C(Predicted)
- 밀도
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.12 · 12.12±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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