propan-2-yl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
기본 정보
- CAS
5704-62-1- 표준 SMILES
Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1C(N)=O- InChIKey
STICVNGPCDJXQI-FMIVXFBMSA-N- 분자식
- C23H28N2O4S
- 평균 분자량
- 428.5 g/mol
- 단동위원소 질량
- 428.17697855
이름 및 식별자
- 우선 이름
- propan-2-yl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
- IUPAC
- propan-2-yl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
이름 및 동의어
5704-62-1ST50915049propan-2-yl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylateAK-968/11990138DTXSID80361106STK428334AKOS003254519isopropyl 4-(aminocarbonyl)-5-{[3-(4-tert-butylphenyl)acryloyl]amino}-3-methyl-2-thiophenecarboxylatemethylethyl 5-{(2E)-3-[4-(tert-butyl)phenyl]prop-2-enoylamino}-4-carbamoyl-3-m ethylthiophene-2-carboxylatePropan-2-yl 5-[(2E)-3-(4-tert-butylphenyl)prop-2-enamido]-4-carbamoyl-3-methylthiophene-2-carboxylatepropan-2-yl 5-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-4-carbamoyl-3-methylthiophene-2-carboxylate
데이터베이스 식별자
- CAS
5704-62-1- PubChem CID
- 1220557
- DTXSID
DTXSID80361106
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 663
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