Methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4-phenylthiophene-3-carboxylate
기본 정보
- CAS
883547-64-6- 표준 SMILES
COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1- InChIKey
IBPFUOZKNJVGAO-UHFFFAOYSA-N- 분자식
- C27H23Cl2N3O4S2
- 평균 분자량
- 588.5 g/mol
- 단동위원소 질량
- 587.050704
이름 및 식별자
- 우선 이름
- Methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4-phenylthiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate
이름 및 동의어
883547-64-6Methyl 2-[[2-[4-[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]-1-piperazinyl]acetyl]amino]-4-phenyl-3-thiophenecarboxylateDTXSID001105532STK466972AKOS003344991methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4-phenylthiophene-3-carboxylateST50893851methyl 2-(2-{4-[(3,6-dichlorobenzo[b]thiophen-2-yl)carbonyl]piperazinyl}acetyl amino)-4-phenylthiophene-3-carboxylatemethyl 2-[({4-[(3,6-dichloro-1-benzothien-2-yl)carbonyl]-1-piperazinyl}acetyl)amino]-4-phenyl-3-thiophenecarboxylatemethyl 2-[[2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
883547-64-6- PubChem CID
- 17378490
- DTXSID
DTXSID001105532
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 871
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