기본 정보
- 표준 SMILES
CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(N)=O)CC3)cc2n1- InChIKey
BICXGBBNHQRFBZ-UHFFFAOYSA-N- 분자식
- C31H54N6O2SSn
- 평균 분자량
- 693.6 g/mol
- 단동위원소 질량
- 694.305099
이름 및 식별자
- 우선 이름
- 2-[4-(4-Morpholin-4-yl-2-(tributylstannanyl)-thieno[3,2-d]pyrimidin-6-ylmethyl)piperazin-1-yl]isobutyramide
- IUPAC
- 2-methyl-2-[4-[(4-morpholin-4-yl-2-tributylstannylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanamide
이름 및 동의어
SCHEMBL2110929BICXGBBNHQRFBZ-UHFFFAOYSA-N(4-(4-morpholin-4-yl-2-(tributylstannanyl)thieno[3,2-d]pyrimidin-6-ylmethyl)piperazin-1-yl]isobutyramide2-[4-(4-morpholin-4-yl-2-(tributlystannanyl)thieno[3,2-d]pyrimidin-6-ylmethyl)piperazin-1-yl]isobutyramide2-[4-(4-morpholin-4-yl-2-(tributylstannanyl)-thieno[3,2-d]pyrimidin-6-ylmethyl)piperazin-1-yl]isobutyramide2-[4-(4-morpholin-4-yl-2-(tributylstannanyl)thieno[3,2-d]pyrimidin-6-yl methyl)piperazin-1-yl]isobutyramide2-[4-(4-morpholin-4-yl-2-(tributylstannanyl)thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazin-1-yl]isobutyramide2-[4-(4-morpholin-4-yl-2-(tributylstannanyl)thieno[3,2-d]pyrimidin-6-ylmethyl)piperazin-1-yl]isobutyramide2-[4-(4-morpholin-4-yl-2-tributylstannanyl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazin-1-yl]-isobutyramide2-methyl-2-(4-((4-morpholino-2-(tributylstannyl)thieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
데이터베이스 식별자
- PubChem CID
- 57506730
물성
구조 계산 물성
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 786
관련 반응
49건
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