tert-butyl N-[(4aR,11bR)-10-[[5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]carbamate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)NC1=N[C@]2(C)c3cc(NC(=O)c4cnc(OCC5CC5)cn4)ccc3OCC[C@H]2S(=O)(=O)C1(C)C- InChIKey
YWMWMDOFBDQISN-KPURRNSFSA-N- 분자식
- C29H37N5O7S
- 평균 분자량
- 599.7 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl N-[(4aR,11bR)-10-[[5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]carbamate
- IUPAC
- tert-butyl N-[(4aR,11bR)-10-[[5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]carbamate
이름 및 동의어
SCHEMBL17666514YWMWMDOFBDQISN-KPURRNSFSA-Ntert-butyl N-[(4aR,11bR)-10-[[5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4-aH-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]carbamatetert-butyl N-[(4aR,11bR)-10-[[5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]carbamate
데이터베이스 식별자
- PubChem CID
- 86728167
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,180
관련 반응
1건
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