기본 정보
- 표준 SMILES
COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C- InChIKey
LQAWZBVFPYYFGB-UHFFFAOYSA-N- 분자식
- C17H18N2O4
- 평균 분자량
- 314.34 g/mol
- 단동위원소 질량
- 314.12665706
이름 및 식별자
- 우선 이름
- 3-Methoxy-4-o-tolylureidophenylacetic acid
- IUPAC
- 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
이름 및 동의어
SCHEMBL4683165LQAWZBVFPYYFGB-UHFFFAOYSA-N3-methoxy-4-o-tolylureidophenylacetic acid3-methoxy-4-[3-o-tolyl-ureido]phenylacetic acid[3-Methoxy-4-(3-o-tolylureido)phenyl]acetic acid3-methoxy-4-(3-o-tolyl-ureido)-phenylacetic acid[3-methoxy-4-(3-o-tolylureido)phenyl]-acetic acid[3-methoxy-4-(3-o-tolyl-ureido)-phenyl]-acetic acid3-methoxy-4-[3-(2-methylphenyl)ureido]phenylacetic acid3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylaceticacid3-methoxy4-[N'-(2-methylphenyl)ureido]phenylacetic acid3-methoxy-4-[-N'-(2-methylphenyl)ureido]phenylacetic acid
이름 더 보기
3-methoxy-4-[N'-(2-methylphenyl) ureido]phenylacetic acid3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetic acid4-[N'-(2-methylphenyl)ureido]-3-methoxyphenylacetic acid
데이터베이스 식별자
- PubChem CID
- 11449840
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 415
관련 반응
94건
화합물 노트
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