기본 정보
- CAS
338761-48-1- 표준 SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
CPVSAXZPXNWXGA-UHFFFAOYSA-N- 분자식
- C23H19Cl2F4N5O3
- 평균 분자량
- 560.3 g/mol
- 단동위원소 질량
- 559.0801075
이름 및 식별자
- 우선 이름
- 3-(2-chloro-6-fluorophenyl)-N'-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}carbonyl)-5-methyl-4-isoxazolecarbohydrazide
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-N'-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]-5-methyl-1,2-oxazole-4-carbohydrazide
- 영어명
- 3-(2-CHLORO-6-FLUOROPHENYL)-N'-((1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINYL)CARBONYL)-5-METHYL-4-ISOXAZOLECARBOHYDRAZIDE
- 분자식
- C23H19Cl2F4N5O3
- 분자량
- 560.33
이름 및 동의어
338761-48-11-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carbohydrazide3-(2-chloro-6-fluorophenyl)-N'-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}carbonyl)-5-methyl-4-isoxazolecarbohydrazide3-(2-chloro-6-fluorophenyl)-N'-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]-5-methyl-1,2-oxazole-4-carbohydrazideAKOS0050924135G-9263-(2-CHLORO-6-FLUOROPHENYL)-N'-((1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINYL)CARBONYL)-5-METHYL-4-ISOXAZOLECARBOHYDRAZIDE4-Piperidinecarboxylic acid, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]hydrazide
데이터베이스 식별자
- CAS
338761-48-1- PubChem CID
- 1478862
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 820
물리화학적 성질
- 끓는 점
- 726.6 · 726.6±60.0 °C(Predicted)
- 밀도
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.86 · 8.86±0.23(Predicted)
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