기본 정보
- 표준 SMILES
CCOC(=O)c1c(C)[nH]c(C=O)c1CCCN1CCN(C)CC1- InChIKey
XWTXOZAMDCGFQZ-UHFFFAOYSA-N- 분자식
- C17H27N3O3
- 평균 분자량
- 321.4 g/mol
- 단동위원소 질량
- 321.20524173
이름 및 식별자
- 우선 이름
- 5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate
이름 및 동의어
SCHEMBL5401547XWTXOZAMDCGFQZ-UHFFFAOYSA-N5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1 H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 58779587
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 397
관련 반응
24건
연결된 노트
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