2,4-Dimethyl-5-(2-oxo-6-Pyridin-3-yl-1,2-Dihydroindol-3-Ylidenemethyl)-1H-Pyrrole-3-Carboxylic Acid (2-Pyrrolidin-1-Ylethyl) Amide
기본 정보
- 표준 SMILES
Cc1[nH]c(C=C2C(=O)Nc3cc(-c4cccnc4)ccc32)c(C)c1C(=O)NCCN1CCCC1- InChIKey
KCTRXHCZNDHBCL-UHFFFAOYSA-N- 분자식
- C27H29N5O2
- 평균 분자량
- 455.6 g/mol
이름 및 식별자
- 우선 이름
- 2,4-Dimethyl-5-(2-oxo-6-Pyridin-3-yl-1,2-Dihydroindol-3-Ylidenemethyl)-1H-Pyrrole-3-Carboxylic Acid (2-Pyrrolidin-1-Ylethyl) Amide
- IUPAC
- 2,4-dimethyl-5-[(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
이름 및 동의어
SCHEMBL2116230KCTRXHCZNDHBCL-UHFFFAOYSA-N2,4-Dimethyl-5-(2-oxo-6-Pyridin-3-yl-1,2-Dihydroindol-3-Ylidenemethyl)-1H-Pyrrole-3-Carboxylic Acid (2-Pyrrolidin-1-Ylethyl) Amide2,4-Dimethyl-5-(2-oxo-6-pyridin-3-yl-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-ylethyl)amide
데이터베이스 식별자
- PubChem CID
- 67281847
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 90.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 779
관련 반응
8건
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