(+)-2,6-Dimethyl-3-cyano-4-(2-trifluoromethylphenyl)-5-carboxy-1,4-dihydropyridine (HCID 15050297)

기본 정보

표준 SMILES: CC1=C(C#N)C(c2ccccc2C(F)(F)F)C(C(=O)O)=C(C)N1
InChIKey: VGBXGYFTDMLZPD-UHFFFAOYSA-N
분자식: C16H13F3N2O2
평균 분자량: 322.28 g/mol
단동위원소 질량: 322.09291215

이름 및 식별자

우선 이름: (+)-2,6-Dimethyl-3-cyano-4-(2-trifluoromethylphenyl)-5-carboxy-1,4-dihydropyridine
IUPAC: 5-cyano-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

이름 및 동의어

(+)-2,6-dimethyl-3-cyano-4-(2-trifluoromethylphenyl)-5-carboxy-1,4-dihydropyridineSCHEMBL7267380(-)-2,6-dimethyl-3-cyano-4-(2-trifluoromethylphenyl)-5-carboxy-1,4-dihydropyridine5-CYANO-2,6-DIMETHYL-4-[2-(TRIFLUOROMETHYL)PHENYL]-1,4-DIHYDRO-3-PYRIDINECARBOXYLIC ACID

데이터베이스 식별자

PubChem CID: 15050297

물성

구조 계산 물성

XLogP: 3
극성 표면적: 73.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 23
형식 전하: 0
복잡도: 625

화합물 노트

불러오는 중…