methylethyl 2-[4-(N-{4,5-dimethyl-3-[(methylethyl)oxycarbonyl](2-thienyl)}carb amoyl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
기본 정보
- CAS
494842-62-5- 표준 SMILES
Cc1sc(NC(=O)CCCC(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)c(C(=O)OC(C)C)c1C- InChIKey
NNWDEPQKKUDHPY-UHFFFAOYSA-N- 분자식
- C25H34N2O6S2
- 평균 분자량
- 522.7 g/mol
이름 및 식별자
- 우선 이름
- methylethyl 2-[4-(N-{4,5-dimethyl-3-[(methylethyl)oxycarbonyl](2-thienyl)}carb amoyl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[5-[(4,5-dimethyl-3-propan-2-yloxycarbonylthiophen-2-yl)amino]-5-oxopentanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
- 영어명
- isopropyl 2-[(5-{[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}-5-oxopentanoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
- 분자식
- C25H34N2O6S2
- 분자량
- 522.67726
이름 및 동의어
STK445007AKOS003303181ST50923072dipropan-2-yl 2,2'-[(1,5-dioxopentane-1,5-diyl)diimino]bis(4,5-dimethylthiophene-3-carboxylate)methylethyl 2-[4-(N-{4,5-dimethyl-3-[(methylethyl)oxycarbonyl](2-thienyl)}carb amoyl)butanoylamino]-4,5-dimethylthiophene-3-carboxylateisopropyl 2-[(5-{[3-(isopropoxycarbonyl)-4,5-dimethyl-2-thienyl]amino}-5-oxopentanoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
데이터베이스 식별자
- CAS
494842-62-5
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 715
관련 반응
0건
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