[3-Amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone
기본 정보
- CAS
709002-47-1- 표준 SMILES
COCc1cc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(N)c12- InChIKey
ZEAZJNKPMRTFQD-UHFFFAOYSA-N- 분자식
- C21H24N4O2S
- 평균 분자량
- 396.5 g/mol
- 단동위원소 질량
- 396.16199719
개요
[3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone is a member of piperazines.
이름 및 식별자
- 우선 이름
- [3-Amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone
- IUPAC
- [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
이름 및 동의어
SMR000092778[3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanoneMLS000115755[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl](4-phenylpiperazin-1-yl)methanone709002-47-1Methanone, [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl](4-phenyl-1-piperazinyl)-ChemDiv3_007031MLS001368111CHEMBL1471093BDBM48969cid_1093414
이름 더 보기
CHEBI:107821DTXSID001116062HMS1492P13HMS2252E15STK283261AKOS000415249IDI1_024941BRD-K97846172-001-01-5
데이터베이스 식별자
- CAS
709002-47-1- PubChem CID
- 1093414
- DTXSID
DTXSID001116062- ChEMBL
CHEMBL1471093- ChEBI
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 99.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 536
관련 반응
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