Ethyl 2-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
883546-45-0- 표준 SMILES
CCOC(=O)c1c(NC(=S)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)sc2c1CCCC2- InChIKey
MAJGSQBNMLTYMY-UHFFFAOYSA-N- 분자식
- C23H27Cl2N3O2S2
- 평균 분자량
- 512.5 g/mol
- 단동위원소 질량
- 511.0921748
이름 및 식별자
- 우선 이름
- Ethyl 2-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
이름 및 동의어
883546-45-0Ethyl 2-[[[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]thioxomethyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateDTXSID801103861STK466585AKOS003342151ethyl 2-({[4-(3,4-dichlorobenzyl)piperazin-1-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50865363ethyl 2-({[4-(3,4-dichlorobenzyl)-1-piperazinyl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[({4-[(3,4-dichlorophenyl)methyl]piperazinyl}thioxomethyl)amino]-4,5,6 ,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
데이터베이스 식별자
- CAS
883546-45-0- PubChem CID
- 17378149
- DTXSID
DTXSID801103861
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 665
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