기본 정보
- CAS
312586-45-1- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2C)c1C- InChIKey
TWESVRYNOHVEHS-UHFFFAOYSA-N- 분자식
- C23H21ClN2O4S
- 평균 분자량
- 456.9 g/mol
- 단동위원소 질량
- 456.091056
이름 및 식별자
- 우선 이름
- Ethyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
- 영어명
- ethyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
- 분자식
- C23H21ClN2O4S
- 분자량
- 456.94
이름 및 동의어
ZINC647561ethyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylateZINC00647561Oprea1_046504Oprea1_166166MFCD01151492STK050038AKOS000508841ethyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylateZINC000000647561AG-690/11972605SR-01000429587
이름 더 보기
ethyl 2-{[(4-chlorophenyl)carbonyl]amino}-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate3-Thiophenecarboxylic acid, 2-[(4-chlorobenzoyl)amino]-4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-, ethyl ester
SR-01000429587-1CCOC(=O)c1c(NC(=O)c2ccc(cc2)Cl)sc(c1C)C(=O)Nc1ccccc1CCCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)C3=CC=C(C=C3)ClETHYL2((4CHLOROBENZOYL)AMINO)4METHYL5((2METHYLPHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATEETHYL2((4CHLOROBENZOYL)AMINO)4METHYL5(2TOLUIDINOCARBONYL)3THIOPHENECARBOXYLATEETHYL 2-(4-CHLOROBENZAMIDO)-4-METHYL-5-[(2-METHYLPHENYL)CARBAMOYL]THIOPHENE-3-CARBOXYLATEETHYL2(((4CHLOROPHENYL)CARBONYL)AMINO)4METHYL5((2METHYLPHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 655
물리화학적 성질
- 끓는 점
- 512.2 · 512.2±50.0 °C(Predicted)
- 밀도
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.76 · 11.76±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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