기본 정보
- 표준 SMILES
Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(Cl)c21- InChIKey
ZGZBTTYRSFJNEM-UHFFFAOYSA-N- 분자식
- C19H21ClN6O3
- 평균 분자량
- 416.9 g/mol
- 단동위원소 질량
- 416.1363662
이름 및 식별자
- 우선 이름
- 5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)amide
- IUPAC
- 5-[(4-chloro-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
이름 및 동의어
SCHEMBL7674860ZGZBTTYRSFJNEM-UHFFFAOYSA-N5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo [2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)amide5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin4-yl-ethyl)-amide
데이터베이스 식별자
- PubChem CID
- 86586499
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 656
관련 반응
14건
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