Propan-2-yl 2-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
376359-29-4- 표준 SMILES
Cc1nn(Cc2ccc(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)o2)c(C)c1Cl- InChIKey
DWPKTVHTWOEBIG-UHFFFAOYSA-N- 분자식
- C23H26ClN3O4S
- 평균 분자량
- 476 g/mol
이름 및 식별자
- 우선 이름
- Propan-2-yl 2-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- isopropyl 2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C23H26ClN3O4S
- 분자량
- 475.98824
이름 및 동의어
isopropyl 2-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateChemDiv3_005584Oprea1_726619HMS1488N18STK915066AKOS001018074IDI1_023494propan-2-yl 2-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/12862205Z56793161propan-2-yl 2-[({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatepropan-2-yl 2-{5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
데이터베이스 식별자
- CAS
376359-29-4
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 698
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