3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
기본 정보
- CAS
338963-08-9- 표준 SMILES
O=C(Nc1ccc(Cl)cc1)N1C(Cc2ccccc2)COC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2- InChIKey
QFIAACBBPBSYPD-UHFFFAOYSA-N- 분자식
- C27H25Cl2F3N4O2
- 평균 분자량
- 565.4 g/mol
- 단동위원소 질량
- 564.1306659
이름 및 식별자
- 우선 이름
- 3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
- IUPAC
- 3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
- 영어명
- 3-Benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
- 분자식
- C27H25Cl2F3N4O2
- 분자량
- 565.41
이름 및 동의어
338963-08-93-benzyl-8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-chlorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide3-Benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide3-Benzyl-8-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-chlorophenyl)-1-oxa-4,8-diazaspiro[4.5]Decane-4-carboxamide3-benzyl-N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamideDTXSID301103547AKOS0050956165N-045N-(4-Chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(phenylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide1-Oxa-4,8-diazaspiro[4.5]decane-4-carboxamide, N-(4-chlorophenyl)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(phenylmethyl)-
데이터베이스 식별자
- CAS
338963-08-9- PubChem CID
- 4220803
- DTXSID
DTXSID301103547
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 57.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 800
물리화학적 성질
- 끓는 점
- 702.8 · 702.8±60.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.41 · 11.41±0.70(Predicted)
관련 반응
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